2-amino-4-[(2,3-dimethylphenyl)carbamoyl]benzoic acid

C16H16N2O3 — CID 170549182

IUPAC2-amino-4-[(2,3-dimethylphenyl)carbamoyl]benzoic acid
SMILESCc1cccc(NC(=O)c2ccc(C(=O)O)c(N)c2)c1C
InChIInChI=1S/C16H16N2O3/c1-9-4-3-5-14(10(9)2)18-15(19)11-6-7-12(16(20)21)13(17)8-11/h3-8H,17H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyMDWXMQPQKGLTJF-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.84
Rot. Bonds3

About 2-amino-4-[(2,3-dimethylphenyl)carbamoyl]benzoic acid

2-amino-4-[(2,3-dimethylphenyl)carbamoyl]benzoic acid (PubChem CID 170549182) has the molecular formula C16H16N2O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is 2-amino-4-[(2,3-dimethylphenyl)carbamoyl]benzoic acid.

Molecular Properties

Compound Name2-amino-4-[(2,3-dimethylphenyl)carbamoyl]benzoic acid
PubChem CID170549182
Molecular FormulaC16H16N2O3
Molecular Weight284.32 g/mol
Exact Mass284.12
IUPAC Name2-amino-4-[(2,3-dimethylphenyl)carbamoyl]benzoic acid
SMILESCc1cccc(NC(=O)c2ccc(C(=O)O)c(N)c2)c1C
InChIInChI=1S/C16H16N2O3/c1-9-4-3-5-14(10(9)2)18-15(19)11-6-7-12(16(20)21)13(17)8-11/h3-8H,17H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyMDWXMQPQKGLTJF-UHFFFAOYSA-N
XLogP2.84
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-(2,3-dimethylphenyl)-4-methoxybenzamide
CID 16792404
3-[(3-amino-4-chlorobenzoyl)amino]-2-methylbenzoic acid
CID 43696580
2-amino-4-[(2-fluorophenyl)carbamoyl]benzoic acid
CID 170549186
3-[(4-amino-3-fluorobenzoyl)amino]-2-methylbenzoic acid
CID 63188108
N-(2,3-dimethylphenyl)-3-iodo-4-methylbenzamide
CID 2213666
3-N-(2,3-dimethylphenyl)-1-N-(2-methylphenyl)benzene-1,3-dicarboxamide
CID 109056848
3-bromo-N-(2,3-dimethylphenyl)-4-methylbenzamide
CID 2062628
4-amino-3,5-dichloro-N-(2,3-dimethylphenyl)benzamide
CID 82826777
4-amino-N-(2,3-dimethylphenyl)-3,5-difluorobenzamide
CID 63187147
N-(2,3-dimethylphenyl)-4-fluorobenzamide
CID 795282
2-[(3-amino-4-methylbenzoyl)amino]-4-fluorobenzoic acid
CID 61158484
3-bromo-4-chloro-N-(2,3-dimethylphenyl)benzamide
CID 107999224

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[(2,3-dimethylphenyl)carbamoyl]benzoic acid?
The IUPAC name of 2-amino-4-[(2,3-dimethylphenyl)carbamoyl]benzoic acid (CID 170549182) is 2-amino-4-[(2,3-dimethylphenyl)carbamoyl]benzoic acid.
What is the SMILES notation for 2-amino-4-[(2,3-dimethylphenyl)carbamoyl]benzoic acid?
The canonical SMILES for 2-amino-4-[(2,3-dimethylphenyl)carbamoyl]benzoic acid is Cc1cccc(NC(=O)c2ccc(C(=O)O)c(N)c2)c1C.
What is the InChIKey of 2-amino-4-[(2,3-dimethylphenyl)carbamoyl]benzoic acid?
The InChIKey is MDWXMQPQKGLTJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-9-4-3-5-14(10(9)2)18-15(19)11-6-7-12(16(20)21)13(17)8-11/h3-8H,17H2,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 2-amino-4-[(2,3-dimethylphenyl)carbamoyl]benzoic acid?
2-amino-4-[(2,3-dimethylphenyl)carbamoyl]benzoic acid has a molecular weight of 284.32 g/mol, XLogP of 2.84, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[(2,3-dimethylphenyl)carbamoyl]benzoic acid is sourced from PubChem (CID 170549182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).