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Acylaminobenzoic acid and derivatives

Organic compounds that consist of a benzoic acid with an acylamino substitution; an acylamino substitution consists of a carbon atom bonded to a carbonyl group that is bonded to a nitrogen atom bonded to a hydrogen atom and an organic group.

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1

3-Acetamidobenzoic acid, 98%

CAS: 587-48-4 Molecular Formula: C9H9NO3 Molecular Weight (g/mol): 179.175 MDL Number: MFCD00013983 InChI Key: RGDPZMQZWZMONQ-UHFFFAOYSA-N Synonym: 3-acetylamino benzoic acid,benzoic acid, 3-acetylamino,3-acetylaminobenzoic acid,m-acetylaminobenzoic acid,benzoic acid, m-acetamido,n-acetyl-m-aminobenzoic acid,3-acetylamino-benzoic acid,3-acetylamino-benzoicaci,3-acetamidobenzoicacid,3'-carboxyacetanilide PubChem CID: 48847 IUPAC Name: 3-acetamidobenzoic acid SMILES: CC(=O)NC1=CC=CC(=C1)C(=O)O

PubChem CID 48847
CAS 587-48-4
Molecular Weight (g/mol) 179.175
MDL Number MFCD00013983
SMILES CC(=O)NC1=CC=CC(=C1)C(=O)O
Synonym 3-acetylamino benzoic acid,benzoic acid, 3-acetylamino,3-acetylaminobenzoic acid,m-acetylaminobenzoic acid,benzoic acid, m-acetamido,n-acetyl-m-aminobenzoic acid,3-acetylamino-benzoic acid,3-acetylamino-benzoicaci,3-acetamidobenzoicacid,3'-carboxyacetanilide
IUPAC Name 3-acetamidobenzoic acid
InChI Key RGDPZMQZWZMONQ-UHFFFAOYSA-N
Molecular Formula C9H9NO3
2

4-Acetamido-2-methylbenzoic acid, 96%

CAS: 103204-69-9 Molecular Formula: C10H11NO3 Molecular Weight (g/mol): 193.202 MDL Number: MFCD02258874 InChI Key: AQPDTYYKDYMCTH-UHFFFAOYSA-N Synonym: 4-acetylamino-2-methylbenzoic acid,benzoic acid, 4-acetylamino-2-methyl,4-acetamido-2-methyl-benzoic acid,acmc-20amqf,4-acetamido-o-toluic acid,4'-acetamido-2-methylbenzoicacid,4-acetylamino-2-methyl-benzoic acid,o-toluic acid, 4-acetamido-6ci,n-acetyl-4-amino-2-methyl-benzoic acid PubChem CID: 2735224 IUPAC Name: 4-acetamido-2-methylbenzoic acid SMILES: CC1=C(C=CC(=C1)NC(=O)C)C(=O)O

PubChem CID 2735224
CAS 103204-69-9
Molecular Weight (g/mol) 193.202
MDL Number MFCD02258874
SMILES CC1=C(C=CC(=C1)NC(=O)C)C(=O)O
Synonym 4-acetylamino-2-methylbenzoic acid,benzoic acid, 4-acetylamino-2-methyl,4-acetamido-2-methyl-benzoic acid,acmc-20amqf,4-acetamido-o-toluic acid,4'-acetamido-2-methylbenzoicacid,4-acetylamino-2-methyl-benzoic acid,o-toluic acid, 4-acetamido-6ci,n-acetyl-4-amino-2-methyl-benzoic acid
IUPAC Name 4-acetamido-2-methylbenzoic acid
InChI Key AQPDTYYKDYMCTH-UHFFFAOYSA-N
Molecular Formula C10H11NO3
3

5-Acetamido-2-aminobenzoic acid, 97%

CAS: 50670-83-2 Molecular Formula: C9H10N2O3 Molecular Weight (g/mol): 194.19 MDL Number: MFCD00060120 InChI Key: GSOHXJQXAKNJES-UHFFFAOYSA-N Synonym: 5-acetamidoanthranilic acid,2-amino-5-acetamidobenzoic acid,benzoic acid, 5-acetylamino-2-amino,5-acetylamino-2-aminobenzoic acid,5-acetamino-2-aminobenzoic acid,5-acetamidoanthranilicacid,acmc-209kp2,5-acetylaminoanthanilic acid,5-acetamido-2-aminobenzoicacid,2-amino-5-acetaminobenzoic acid PubChem CID: 170890 IUPAC Name: 5-acetamido-2-aminobenzoic acid SMILES: CC(=O)NC1=CC(=C(C=C1)N)C(=O)O

PubChem CID 170890
CAS 50670-83-2
Molecular Weight (g/mol) 194.19
MDL Number MFCD00060120
SMILES CC(=O)NC1=CC(=C(C=C1)N)C(=O)O
Synonym 5-acetamidoanthranilic acid,2-amino-5-acetamidobenzoic acid,benzoic acid, 5-acetylamino-2-amino,5-acetylamino-2-aminobenzoic acid,5-acetamino-2-aminobenzoic acid,5-acetamidoanthranilicacid,acmc-209kp2,5-acetylaminoanthanilic acid,5-acetamido-2-aminobenzoicacid,2-amino-5-acetaminobenzoic acid
IUPAC Name 5-acetamido-2-aminobenzoic acid
InChI Key GSOHXJQXAKNJES-UHFFFAOYSA-N
Molecular Formula C9H10N2O3
4

N-(4-Carboxyphenyl)succinamic acid, 99%, Thermo Scientific Chemicals

CAS: 76475-62-2 Molecular Formula: C11H11NO5 Molecular Weight (g/mol): 237.21 MDL Number: MFCD00020530 InChI Key: IOKXKKSBNJCKOY-UHFFFAOYSA-N Synonym: 4-3-carboxypropanamido benzoic acid,4-3-carboxypropanoyl amino benzoic acid,n-4-carboxyphenyl succinamic acid,4-3-carboxypropanoylamino benzoic acid,cbkinase1_000202,cbkinase1_012602,cambridge id 5122038,n-4-carboxyphenyl succinamidic acid,4-2-carboxyethylcarboxamido benzoic acid PubChem CID: 765581 IUPAC Name: 4-(3-carboxypropanoylamino)benzoic acid SMILES: OC(=O)CCC(=O)NC1=CC=C(C=C1)C(O)=O

PubChem CID 765581
CAS 76475-62-2
Molecular Weight (g/mol) 237.21
MDL Number MFCD00020530
SMILES OC(=O)CCC(=O)NC1=CC=C(C=C1)C(O)=O
Synonym 4-3-carboxypropanamido benzoic acid,4-3-carboxypropanoyl amino benzoic acid,n-4-carboxyphenyl succinamic acid,4-3-carboxypropanoylamino benzoic acid,cbkinase1_000202,cbkinase1_012602,cambridge id 5122038,n-4-carboxyphenyl succinamidic acid,4-2-carboxyethylcarboxamido benzoic acid
IUPAC Name 4-(3-carboxypropanoylamino)benzoic acid
InChI Key IOKXKKSBNJCKOY-UHFFFAOYSA-N
Molecular Formula C11H11NO5
6

Iothalamic Acid, TRC

CAS: 2276-90-6 Molecular Formula: C11 H9 I3 N2 O4 Molecular Weight (g/mol): 613.91 Synonym: Benzoic acid, 3-(acetylamino)-2,4,6-triiodo-5-[(methylamino)carbonyl]-,Isophthalamic acid, 5-acetamido-2,4,6-triiodo-N-methyl- (7CI,8CI),3-(Acetylamino)-2,4,6-triiodo-5-[(methylamino)carbonyl]benzoic acid,5-Acetamido-2,4,6-triiodo-N-methylisophthalamic acid,5-Acetylamino-2,4,6-triiodo-N-methyl-3-isophthalamic acid,Cysto Conray II,Iotalamic acid,Iothalamic acid,MI 216,Methalamic acid IUPAC Name: 3-acetamido-2,4,6-triiodo-5-(methylcarbamoyl)benzoic acid SMILES: CNC(=O)c1c(I)c(NC(=O)C)c(I)c(C(=O)O)c1I

CAS 2276-90-6
Molecular Weight (g/mol) 613.91
SMILES CNC(=O)c1c(I)c(NC(=O)C)c(I)c(C(=O)O)c1I
Synonym Benzoic acid, 3-(acetylamino)-2,4,6-triiodo-5-[(methylamino)carbonyl]-,Isophthalamic acid, 5-acetamido-2,4,6-triiodo-N-methyl- (7CI,8CI),3-(Acetylamino)-2,4,6-triiodo-5-[(methylamino)carbonyl]benzoic acid,5-Acetamido-2,4,6-triiodo-N-methylisophthalamic acid,5-Acetylamino-2,4,6-triiodo-N-methyl-3-isophthalamic acid,Cysto Conray II,Iotalamic acid,Iothalamic acid,MI 216,Methalamic acid
IUPAC Name 3-acetamido-2,4,6-triiodo-5-(methylcarbamoyl)benzoic acid
Molecular Formula C11 H9 I3 N2 O4
7

Ioxaglic Acid, TRC

CAS: 59017-64-0 Molecular Formula: C24 H21 I6 N5 O8 Molecular Weight (g/mol): 1268.88 Synonym: Ioxaglic acid,3-[[[[3-(Acetylmethylamino)-2,4,6-triiodo-5-(methylcarbamoyl)benzoyl]amino]acetyl]amino]-5-[(2-hydroxyethyl)carbamoyl]-2,4,6-triiodobenzoic acid IUPAC Name: 3-[[2-[[3-[acetyl(methyl)amino]-2,4,6-triiodo-5-(methylcarbamoyl)benzoyl]amino]acetyl]amino]-5-(2-hydroxyethylcarbamoyl)-2,4,6-triiodobenzoic acid SMILES: CNC(=O)c1c(I)c(N(C)C(=O)C)c(I)c(C(=O)NCC(=O)Nc2c(I)c(C(=O)O)c(I)c(C(=O)NCCO)c2I)c1I

CAS 59017-64-0
Molecular Weight (g/mol) 1268.88
SMILES CNC(=O)c1c(I)c(N(C)C(=O)C)c(I)c(C(=O)NCC(=O)Nc2c(I)c(C(=O)O)c(I)c(C(=O)NCCO)c2I)c1I
Synonym Ioxaglic acid,3-[[[[3-(Acetylmethylamino)-2,4,6-triiodo-5-(methylcarbamoyl)benzoyl]amino]acetyl]amino]-5-[(2-hydroxyethyl)carbamoyl]-2,4,6-triiodobenzoic acid
IUPAC Name 3-[[2-[[3-[acetyl(methyl)amino]-2,4,6-triiodo-5-(methylcarbamoyl)benzoyl]amino]acetyl]amino]-5-(2-hydroxyethylcarbamoyl)-2,4,6-triiodobenzoic acid
Molecular Formula C24 H21 I6 N5 O8
8

Carboxyformamido Metazachlor Benzoic Acid, TRC

CAS: 1367578-41-3 Molecular Formula: C14 H13 N3 O5 Molecular Weight (g/mol): 303.27 Synonym: Metazachlor Metabolite BH 479-12,Benzoic acid, 2-[(carboxycarbonyl)(1H-pyrazol-1-ylmethyl)amino]-3-methyl- IUPAC Name: 3-methyl-2-[oxalo(pyrazol-1-ylmethyl)amino]benzoic acid SMILES: Cc1cccc(C(=O)O)c1N(Cn2cccn2)C(=O)C(=O)O

CAS 1367578-41-3
Molecular Weight (g/mol) 303.27
SMILES Cc1cccc(C(=O)O)c1N(Cn2cccn2)C(=O)C(=O)O
Synonym Metazachlor Metabolite BH 479-12,Benzoic acid, 2-[(carboxycarbonyl)(1H-pyrazol-1-ylmethyl)amino]-3-methyl-
IUPAC Name 3-methyl-2-[oxalo(pyrazol-1-ylmethyl)amino]benzoic acid
Molecular Formula C14 H13 N3 O5
9

4-Acetylamino-3-hydroxybenzoic Acid Ethyl Ester, TRC

CAS: 1346604-18-9 Molecular Formula: C11N13NO4 Molecular Weight (g/mol): 223.23 Synonym: Benzoic acid, 4-(acetylamino)-3-hydroxy-, ethyl ester,Ethyl 4-acetamido-3-hydroxybenzoate,4-Acetylamino-3-hydroxybenzoic acid ethyl ester IUPAC Name: ethyl 4-acetamido-3-hydroxybenzoate SMILES: CCOC(=O)c1ccc(NC(=O)C)c(O)c1

CAS 1346604-18-9
Molecular Weight (g/mol) 223.23
SMILES CCOC(=O)c1ccc(NC(=O)C)c(O)c1
Synonym Benzoic acid, 4-(acetylamino)-3-hydroxy-, ethyl ester,Ethyl 4-acetamido-3-hydroxybenzoate,4-Acetylamino-3-hydroxybenzoic acid ethyl ester
IUPAC Name ethyl 4-acetamido-3-hydroxybenzoate
Molecular Formula C11N13NO4
11

Methyl 2-(acetylamino)-3-nitrobenzoate, 97%, Thermo Scientific™

CAS: 95067-27-9 Molecular Formula: C10H10N2O5 Molecular Weight (g/mol): 238.20 MDL Number: MFCD00157613 InChI Key: PHFRWNCHBPVTJN-UHFFFAOYSA-N Synonym: methyl 2-acetylamino-3-nitrobenzoate,methyl 2-acetamido-3-nitro-benzoate,2-acetylamino-3-nitro-benzoic acid methyl ester,2-acetamido-3-nitrobenzoic acid methyl ester,methyl-2-acetylamino-3-nitrobenzoate,methyl2-acetylamino-3-nitrobenzoate,2-acetylamino-3-nitrobenzoic acid methyl ester PubChem CID: 2782278 IUPAC Name: methyl 2-acetamido-3-nitrobenzoate SMILES: COC(=O)C1=C(NC(C)=O)C(=CC=C1)[N+]([O-])=O

PubChem CID 2782278
CAS 95067-27-9
Molecular Weight (g/mol) 238.20
MDL Number MFCD00157613
SMILES COC(=O)C1=C(NC(C)=O)C(=CC=C1)[N+]([O-])=O
Synonym methyl 2-acetylamino-3-nitrobenzoate,methyl 2-acetamido-3-nitro-benzoate,2-acetylamino-3-nitro-benzoic acid methyl ester,2-acetamido-3-nitrobenzoic acid methyl ester,methyl-2-acetylamino-3-nitrobenzoate,methyl2-acetylamino-3-nitrobenzoate,2-acetylamino-3-nitrobenzoic acid methyl ester
IUPAC Name methyl 2-acetamido-3-nitrobenzoate
InChI Key PHFRWNCHBPVTJN-UHFFFAOYSA-N
Molecular Formula C10H10N2O5
12

N-Succinimidyl 3-maleimidobenzoate, 95%

CAS: 58626-38-3 Molecular Formula: C15H10N2O6 Molecular Weight (g/mol): 314.253 MDL Number: MFCD00005514 InChI Key: LLXVXPPXELIDGQ-UHFFFAOYSA-N Synonym: 3-maleimidobenzoic acid n-hydroxysuccinimide ester,n-succinimidyl 3-maleimidobenzoate,3-maleimidobenzoyl n-hydroxysuccinimide,1-3-2,5-dioxopyrrolidinyl oxy carbonyl phenyl-1h-pyrrole-2,5-dione,m-maleimidobenzoyl-n-hydroxysuccinimide ester,2,5-dioxopyrrolidin-1-yl 3-2,5-dioxopyrrol-1-yl benzoate,3-n-maleimidobenzoic acid n-succinimidyl ester,2,5-dioxopyrrolidin-1-yl 3-2,5-dioxo-2,5-dihydro-1h-pyrrol-1-yl benzoate,ambotzpeg2090 PubChem CID: 93861 IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 3-(2,5-dioxopyrrol-1-yl)benzoate SMILES: C1CC(=O)N(C1=O)OC(=O)C2=CC(=CC=C2)N3C(=O)C=CC3=O

PubChem CID 93861
CAS 58626-38-3
Molecular Weight (g/mol) 314.253
MDL Number MFCD00005514
SMILES C1CC(=O)N(C1=O)OC(=O)C2=CC(=CC=C2)N3C(=O)C=CC3=O
Synonym 3-maleimidobenzoic acid n-hydroxysuccinimide ester,n-succinimidyl 3-maleimidobenzoate,3-maleimidobenzoyl n-hydroxysuccinimide,1-3-2,5-dioxopyrrolidinyl oxy carbonyl phenyl-1h-pyrrole-2,5-dione,m-maleimidobenzoyl-n-hydroxysuccinimide ester,2,5-dioxopyrrolidin-1-yl 3-2,5-dioxopyrrol-1-yl benzoate,3-n-maleimidobenzoic acid n-succinimidyl ester,2,5-dioxopyrrolidin-1-yl 3-2,5-dioxo-2,5-dihydro-1h-pyrrol-1-yl benzoate,ambotzpeg2090
IUPAC Name (2,5-dioxopyrrolidin-1-yl) 3-(2,5-dioxopyrrol-1-yl)benzoate
InChI Key LLXVXPPXELIDGQ-UHFFFAOYSA-N
Molecular Formula C15H10N2O6
13

Alfa Aesar™ 2-Acetamido-5-bromobenzoic acid, 98%

CAS: 38985-79-4 Molecular Formula: C9H7BrNO3 Molecular Weight (g/mol): 257.06 MDL Number: MFCD00040904 InChI Key: QVABAFHRLMDDLM-UHFFFAOYSA-M PubChem CID: 520935 IUPAC Name: 2-acetamido-5-bromobenzoic acid SMILES: CC(=O)NC1=CC=C(Br)C=C1C([O-])=O

PubChem CID 520935
CAS 38985-79-4
Molecular Weight (g/mol) 257.06
MDL Number MFCD00040904
SMILES CC(=O)NC1=CC=C(Br)C=C1C([O-])=O
IUPAC Name 2-acetamido-5-bromobenzoic acid
InChI Key QVABAFHRLMDDLM-UHFFFAOYSA-M
Molecular Formula C9H7BrNO3
14

3,4-Diacetamidobenzoic acid, 97%, Thermo Scientific™

CAS: 205873-56-9 Molecular Formula: C11H12N2O4 Molecular Weight (g/mol): 236.227 MDL Number: MFCD00238577 InChI Key: GHTLCMPYQOFKCS-UHFFFAOYSA-N Synonym: 3,4-bis acetylamino benzoic acid,benzoic acid,3,4-bis acetylamino,3,4-di acetylamino benzoic acid,maybridge1_006001,acmc-20anfw,3,4-bis acetamido benzoic acid PubChem CID: 2735923 IUPAC Name: 3,4-diacetamidobenzoic acid SMILES: CC(=O)NC1=C(C=C(C=C1)C(=O)O)NC(=O)C

PubChem CID 2735923
CAS 205873-56-9
Molecular Weight (g/mol) 236.227
MDL Number MFCD00238577
SMILES CC(=O)NC1=C(C=C(C=C1)C(=O)O)NC(=O)C
Synonym 3,4-bis acetylamino benzoic acid,benzoic acid,3,4-bis acetylamino,3,4-di acetylamino benzoic acid,maybridge1_006001,acmc-20anfw,3,4-bis acetamido benzoic acid
IUPAC Name 3,4-diacetamidobenzoic acid
InChI Key GHTLCMPYQOFKCS-UHFFFAOYSA-N
Molecular Formula C11H12N2O4
15

2-Acetamido-5-bromobenzoic acid, 97%, Thermo Scientific Chemicals

CAS: 38985-79-4 Molecular Formula: C9H7BrNO3 Molecular Weight (g/mol): 257.06 MDL Number: MFCD00040904 InChI Key: QVABAFHRLMDDLM-UHFFFAOYSA-M PubChem CID: 520935 SMILES: CC(=O)NC1=CC=C(Br)C=C1C([O-])=O

PubChem CID 520935
CAS 38985-79-4
Molecular Weight (g/mol) 257.06
MDL Number MFCD00040904
SMILES CC(=O)NC1=CC=C(Br)C=C1C([O-])=O
InChI Key QVABAFHRLMDDLM-UHFFFAOYSA-M
Molecular Formula C9H7BrNO3