2-[(3-chloro-4-methylbenzoyl)amino]benzoic acid

C15H12ClNO3 — CID 63194782

IUPAC2-[(3-chloro-4-methylbenzoyl)amino]benzoic acid
SMILESCc1ccc(C(=O)Nc2ccccc2C(=O)O)cc1Cl
InChIInChI=1S/C15H12ClNO3/c1-9-6-7-10(8-12(9)16)14(18)17-13-5-3-2-4-11(13)15(19)20/h2-8H,1H3,(H,17,18)(H,19,20)
InChIKeyZTMNPOHZWVOURA-UHFFFAOYSA-N
MW289.72 g/mol
LogP3.60
Rot. Bonds3

About 2-[(3-chloro-4-methylbenzoyl)amino]benzoic acid

2-[(3-chloro-4-methylbenzoyl)amino]benzoic acid (PubChem CID 63194782) has the molecular formula C15H12ClNO3 and a molecular weight of 289.72 g/mol. Its IUPAC name is 2-[(3-chloro-4-methylbenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name2-[(3-chloro-4-methylbenzoyl)amino]benzoic acid
PubChem CID63194782
Molecular FormulaC15H12ClNO3
Molecular Weight289.72 g/mol
Exact Mass289.05
IUPAC Name2-[(3-chloro-4-methylbenzoyl)amino]benzoic acid
SMILESCc1ccc(C(=O)Nc2ccccc2C(=O)O)cc1Cl
InChIInChI=1S/C15H12ClNO3/c1-9-6-7-10(8-12(9)16)14(18)17-13-5-3-2-4-11(13)15(19)20/h2-8H,1H3,(H,17,18)(H,19,20)
InChIKeyZTMNPOHZWVOURA-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

2-[(4-fluoro-3-methylbenzoyl)amino]benzoic acid
CID 63209935
2-[[3-[[2-(4-chlorophenyl)acetyl]amino]-4-methylbenzoyl]amino]benzoic acid
CID 17361899
2-[(3,5-dimethylbenzoyl)amino]benzoic acid
CID 16771715
2-[[3-(azepan-1-ylsulfonyl)-4-methylbenzoyl]amino]benzoic acid
CID 1316696
ethane;2-[(4-hydroxybenzoyl)amino]benzoic acid
CID 143368686
2-[[4-chloro-3-[(2-phenylacetyl)amino]benzoyl]amino]benzoic acid
CID 17361903
4-[(3-chloro-4-methylbenzoyl)amino]benzoic acid
CID 28914625
2-[[3-(diethylsulfamoyl)-4-methylbenzoyl]amino]benzoic acid
CID 1379292
3-chloro-N-(4-iodo-2,5-dimethylphenyl)-4-methylbenzamide
CID 19630910
3-chloro-4-hydroxy-N-(2-methylphenyl)benzamide
CID 18104256
4-[(3-chloro-4-methylbenzoyl)amino]-2-hydroxybenzoic acid
CID 28669002
2-[[4-methyl-3-(4-methylpiperidin-1-yl)sulfonylbenzoyl]amino]benzoic acid
CID 23795276

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-4-methylbenzoyl)amino]benzoic acid?
The IUPAC name of 2-[(3-chloro-4-methylbenzoyl)amino]benzoic acid (CID 63194782) is 2-[(3-chloro-4-methylbenzoyl)amino]benzoic acid.
What is the SMILES notation for 2-[(3-chloro-4-methylbenzoyl)amino]benzoic acid?
The canonical SMILES for 2-[(3-chloro-4-methylbenzoyl)amino]benzoic acid is Cc1ccc(C(=O)Nc2ccccc2C(=O)O)cc1Cl.
What is the InChIKey of 2-[(3-chloro-4-methylbenzoyl)amino]benzoic acid?
The InChIKey is ZTMNPOHZWVOURA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO3/c1-9-6-7-10(8-12(9)16)14(18)17-13-5-3-2-4-11(13)15(19)20/h2-8H,1H3,(H,17,18)(H,19,20).
What are the key properties of 2-[(3-chloro-4-methylbenzoyl)amino]benzoic acid?
2-[(3-chloro-4-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-[(3-chloro-4-methylbenzoyl)amino]benzoic acid is sourced from PubChem (CID 63194782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).