2-chloro-6-[(3-methylbenzoyl)amino]benzoic acid

C15H12ClNO3 — CID 63723600

IUPAC2-chloro-6-[(3-methylbenzoyl)amino]benzoic acid
SMILESCc1cccc(C(=O)Nc2cccc(Cl)c2C(=O)O)c1
InChIInChI=1S/C15H12ClNO3/c1-9-4-2-5-10(8-9)14(18)17-12-7-3-6-11(16)13(12)15(19)20/h2-8H,1H3,(H,17,18)(H,19,20)
InChIKeyJBYVEZLYLVZBQX-UHFFFAOYSA-N
MW289.72 g/mol
LogP3.60
Rot. Bonds3

About 2-chloro-6-[(3-methylbenzoyl)amino]benzoic acid

2-chloro-6-[(3-methylbenzoyl)amino]benzoic acid (PubChem CID 63723600) has the molecular formula C15H12ClNO3 and a molecular weight of 289.72 g/mol. Its IUPAC name is 2-chloro-6-[(3-methylbenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name2-chloro-6-[(3-methylbenzoyl)amino]benzoic acid
PubChem CID63723600
Molecular FormulaC15H12ClNO3
Molecular Weight289.72 g/mol
Exact Mass289.05
IUPAC Name2-chloro-6-[(3-methylbenzoyl)amino]benzoic acid
SMILESCc1cccc(C(=O)Nc2cccc(Cl)c2C(=O)O)c1
InChIInChI=1S/C15H12ClNO3/c1-9-4-2-5-10(8-9)14(18)17-12-7-3-6-11(16)13(12)15(19)20/h2-8H,1H3,(H,17,18)(H,19,20)
InChIKeyJBYVEZLYLVZBQX-UHFFFAOYSA-N
XLogP3.60
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.72
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-chlorophenyl)-3-methylbenzamide
CID 675649
3-[(3-methylbenzoyl)amino]phthalic acid
CID 17172174
2-[(3-amino-4-methylbenzoyl)amino]-6-chlorobenzoic acid
CID 63723613
2-chloro-6-[(3,5-dichlorobenzoyl)amino]benzoic acid
CID 63724110
2-chloro-6-[(1-methyl-2-oxopyridine-4-carbonyl)amino]benzoic acid
CID 63722587
N-(2,6-dichlorophenyl)-3-methylbenzamide;hydrate
CID 51058525
2-chloro-6-[(4-methoxybenzoyl)amino]benzoic acid
CID 63722745
2-chloro-6-[(5-iodothiophene-3-carbonyl)amino]benzoic acid
CID 79685074
3-methyl-N-(2,3,5-trichloro-4-hydroxyphenyl)benzamide
CID 5209652
1-N,3-N-bis(2-chloro-5-methylphenyl)benzene-1,3-dicarboxamide
CID 4179240
N-(3-chloro-4-methylphenyl)-3-methylbenzamide
CID 710448
N-(5-chloro-2-methylphenyl)-3-methylbenzamide
CID 686530

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[(3-methylbenzoyl)amino]benzoic acid?
The IUPAC name of 2-chloro-6-[(3-methylbenzoyl)amino]benzoic acid (CID 63723600) is 2-chloro-6-[(3-methylbenzoyl)amino]benzoic acid.
What is the SMILES notation for 2-chloro-6-[(3-methylbenzoyl)amino]benzoic acid?
The canonical SMILES for 2-chloro-6-[(3-methylbenzoyl)amino]benzoic acid is Cc1cccc(C(=O)Nc2cccc(Cl)c2C(=O)O)c1.
What is the InChIKey of 2-chloro-6-[(3-methylbenzoyl)amino]benzoic acid?
The InChIKey is JBYVEZLYLVZBQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO3/c1-9-4-2-5-10(8-9)14(18)17-12-7-3-6-11(16)13(12)15(19)20/h2-8H,1H3,(H,17,18)(H,19,20).
What are the key properties of 2-chloro-6-[(3-methylbenzoyl)amino]benzoic acid?
2-chloro-6-[(3-methylbenzoyl)amino]benzoic acid has a molecular weight of 289.72 g/mol, XLogP of 3.60, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[(3-methylbenzoyl)amino]benzoic acid is sourced from PubChem (CID 63723600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).