2-[(3-amino-4-methylbenzoyl)amino]-6-chlorobenzoic acid

C15H13ClN2O3 — CID 63723613

IUPAC2-[(3-amino-4-methylbenzoyl)amino]-6-chlorobenzoic acid
SMILESCc1ccc(C(=O)Nc2cccc(Cl)c2C(=O)O)cc1N
InChIInChI=1S/C15H13ClN2O3/c1-8-5-6-9(7-11(8)17)14(19)18-12-4-2-3-10(16)13(12)15(20)21/h2-7H,17H2,1H3,(H,18,19)(H,20,21)
InChIKeyMCKJVSAMBMEOKH-UHFFFAOYSA-N
MW304.73 g/mol
LogP3.18
Rot. Bonds3

About 2-[(3-amino-4-methylbenzoyl)amino]-6-chlorobenzoic acid

2-[(3-amino-4-methylbenzoyl)amino]-6-chlorobenzoic acid (PubChem CID 63723613) has the molecular formula C15H13ClN2O3 and a molecular weight of 304.73 g/mol. Its IUPAC name is 2-[(3-amino-4-methylbenzoyl)amino]-6-chlorobenzoic acid.

Molecular Properties

Compound Name2-[(3-amino-4-methylbenzoyl)amino]-6-chlorobenzoic acid
PubChem CID63723613
Molecular FormulaC15H13ClN2O3
Molecular Weight304.73 g/mol
Exact Mass304.06
IUPAC Name2-[(3-amino-4-methylbenzoyl)amino]-6-chlorobenzoic acid
SMILESCc1ccc(C(=O)Nc2cccc(Cl)c2C(=O)O)cc1N
InChIInChI=1S/C15H13ClN2O3/c1-8-5-6-9(7-11(8)17)14(19)18-12-4-2-3-10(16)13(12)15(20)21/h2-7H,17H2,1H3,(H,18,19)(H,20,21)
InChIKeyMCKJVSAMBMEOKH-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'}

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Related Compounds

2-chloro-6-[(3-methylbenzoyl)amino]benzoic acid
CID 63723600
2-chloro-6-[(3,5-dichlorobenzoyl)amino]benzoic acid
CID 63724110
2-chloro-6-[(4-methoxybenzoyl)amino]benzoic acid
CID 63722745
2-chloro-6-[(5-iodothiophene-3-carbonyl)amino]benzoic acid
CID 79685074
3-[(3-amino-4-chlorobenzoyl)amino]-2-methylbenzoic acid
CID 43696580
N-(5-amino-2,4-dimethylphenyl)-3-chloro-4-methylbenzamide
CID 104756900
2-[(2-aminobenzoyl)amino]-6-chlorobenzoic acid
CID 63722942
2-chloro-6-[(1-methyl-2-oxopyridine-4-carbonyl)amino]benzoic acid
CID 63722587
4-[(3-amino-4-methylbenzoyl)amino]-3-chlorobenzenesulfonic acid
CID 21491240
N-(2-acetylphenyl)-3-amino-4-methylbenzamide
CID 110488218
methyl 3-[(3-amino-4-methylbenzoyl)amino]-4-chlorobenzoate
CID 28723647
2-chloro-6-[(4-cyanobenzoyl)amino]benzoic acid
CID 63723423

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-4-methylbenzoyl)amino]-6-chlorobenzoic acid?
The IUPAC name of 2-[(3-amino-4-methylbenzoyl)amino]-6-chlorobenzoic acid (CID 63723613) is 2-[(3-amino-4-methylbenzoyl)amino]-6-chlorobenzoic acid.
What is the SMILES notation for 2-[(3-amino-4-methylbenzoyl)amino]-6-chlorobenzoic acid?
The canonical SMILES for 2-[(3-amino-4-methylbenzoyl)amino]-6-chlorobenzoic acid is Cc1ccc(C(=O)Nc2cccc(Cl)c2C(=O)O)cc1N.
What is the InChIKey of 2-[(3-amino-4-methylbenzoyl)amino]-6-chlorobenzoic acid?
The InChIKey is MCKJVSAMBMEOKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O3/c1-8-5-6-9(7-11(8)17)14(19)18-12-4-2-3-10(16)13(12)15(20)21/h2-7H,17H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 2-[(3-amino-4-methylbenzoyl)amino]-6-chlorobenzoic acid?
2-[(3-amino-4-methylbenzoyl)amino]-6-chlorobenzoic 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 2-[(3-amino-4-methylbenzoyl)amino]-6-chlorobenzoic acid is sourced from PubChem (CID 63723613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).