3-[(3-amino-4-chlorobenzoyl)amino]-2-methylbenzoic acid

C15H13ClN2O3 — CID 43696580

IUPAC3-[(3-amino-4-chlorobenzoyl)amino]-2-methylbenzoic acid
SMILESCc1c(NC(=O)c2ccc(Cl)c(N)c2)cccc1C(=O)O
InChIInChI=1S/C15H13ClN2O3/c1-8-10(15(20)21)3-2-4-13(8)18-14(19)9-5-6-11(16)12(17)7-9/h2-7H,17H2,1H3,(H,18,19)(H,20,21)
InChIKeyBXXQEQLRAFQSTM-UHFFFAOYSA-N
MW304.73 g/mol
LogP3.18
Rot. Bonds3

About 3-[(3-amino-4-chlorobenzoyl)amino]-2-methylbenzoic acid

3-[(3-amino-4-chlorobenzoyl)amino]-2-methylbenzoic acid (PubChem CID 43696580) has the molecular formula C15H13ClN2O3 and a molecular weight of 304.73 g/mol. Its IUPAC name is 3-[(3-amino-4-chlorobenzoyl)amino]-2-methylbenzoic acid.

Molecular Properties

Compound Name3-[(3-amino-4-chlorobenzoyl)amino]-2-methylbenzoic acid
PubChem CID43696580
Molecular FormulaC15H13ClN2O3
Molecular Weight304.73 g/mol
Exact Mass304.06
IUPAC Name3-[(3-amino-4-chlorobenzoyl)amino]-2-methylbenzoic acid
SMILESCc1c(NC(=O)c2ccc(Cl)c(N)c2)cccc1C(=O)O
InChIInChI=1S/C15H13ClN2O3/c1-8-10(15(20)21)3-2-4-13(8)18-14(19)9-5-6-11(16)12(17)7-9/h2-7H,17H2,1H3,(H,18,19)(H,20,21)
InChIKeyBXXQEQLRAFQSTM-UHFFFAOYSA-N
XLogP3.18
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.73
LogP ≤ 53.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[(3-amino-4-chlorobenzoyl)amino]-2-methylbenzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(4-amino-3-fluorobenzoyl)amino]-2-methylbenzoic acid
CID 63188108
2-amino-4-[(2,3-dimethylphenyl)carbamoyl]benzoic acid
CID 170549182
N-(3-amino-2-methylphenyl)-3-bromo-4-chlorobenzamide
CID 107997499
2-[(3-amino-4-chlorobenzoyl)amino]-5-fluorobenzoic acid
CID 61157769
2-[(3-amino-4-methylbenzoyl)amino]-6-chlorobenzoic acid
CID 63723613
2-[(3-chloro-4-methylbenzoyl)amino]benzoic acid
CID 63194782
3-amino-4-chloro-N-(2-chloro-4-methylphenyl)benzamide
CID 28967462
3-amino-4-chloro-N-(2,4-dimethylphenyl)benzamide
CID 16782790
3-[(3-cyanobenzoyl)amino]-2-methylbenzoic acid
CID 60748959
4-amino-N-(3-bromo-2-methylphenyl)-3-chlorobenzamide
CID 107623927
3-amino-4-chloro-N-(2-propylphenyl)benzamide
CID 43703947
3-[(2-fluoropyridine-4-carbonyl)amino]-2-methylbenzoic acid
CID 61295104

Frequently Asked Questions

What is the IUPAC name of 3-[(3-amino-4-chlorobenzoyl)amino]-2-methylbenzoic acid?
The IUPAC name of 3-[(3-amino-4-chlorobenzoyl)amino]-2-methylbenzoic acid (CID 43696580) is 3-[(3-amino-4-chlorobenzoyl)amino]-2-methylbenzoic acid.
What is the SMILES notation for 3-[(3-amino-4-chlorobenzoyl)amino]-2-methylbenzoic acid?
The canonical SMILES for 3-[(3-amino-4-chlorobenzoyl)amino]-2-methylbenzoic acid is Cc1c(NC(=O)c2ccc(Cl)c(N)c2)cccc1C(=O)O.
What is the InChIKey of 3-[(3-amino-4-chlorobenzoyl)amino]-2-methylbenzoic acid?
The InChIKey is BXXQEQLRAFQSTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O3/c1-8-10(15(20)21)3-2-4-13(8)18-14(19)9-5-6-11(16)12(17)7-9/h2-7H,17H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 3-[(3-amino-4-chlorobenzoyl)amino]-2-methylbenzoic acid?
3-[(3-amino-4-chlorobenzoyl)amino]-2-methylbenzoic acid has a molecular weight of 304.73 g/mol, XLogP of 3.18, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-amino-4-chlorobenzoyl)amino]-2-methylbenzoic acid is sourced from PubChem (CID 43696580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).