4-[(5-chloro-2-methylphenyl)carbamoyl]benzoic acid

C15H12ClNO3 — CID 43386540

IUPAC4-[(5-chloro-2-methylphenyl)carbamoyl]benzoic acid
SMILESCc1ccc(Cl)cc1NC(=O)c1ccc(C(=O)O)cc1
InChIInChI=1S/C15H12ClNO3/c1-9-2-7-12(16)8-13(9)17-14(18)10-3-5-11(6-4-10)15(19)20/h2-8H,1H3,(H,17,18)(H,19,20)
InChIKeyNJKIATAQBRLYQP-UHFFFAOYSA-N
MW289.72 g/mol
LogP3.60
Rot. Bonds3

About 4-[(5-chloro-2-methylphenyl)carbamoyl]benzoic acid

4-[(5-chloro-2-methylphenyl)carbamoyl]benzoic acid (PubChem CID 43386540) has the molecular formula C15H12ClNO3 and a molecular weight of 289.72 g/mol. Its IUPAC name is 4-[(5-chloro-2-methylphenyl)carbamoyl]benzoic acid.

Molecular Properties

Compound Name4-[(5-chloro-2-methylphenyl)carbamoyl]benzoic acid
PubChem CID43386540
Molecular FormulaC15H12ClNO3
Molecular Weight289.72 g/mol
Exact Mass289.05
IUPAC Name4-[(5-chloro-2-methylphenyl)carbamoyl]benzoic acid
SMILESCc1ccc(Cl)cc1NC(=O)c1ccc(C(=O)O)cc1
InChIInChI=1S/C15H12ClNO3/c1-9-2-7-12(16)8-13(9)17-14(18)10-3-5-11(6-4-10)15(19)20/h2-8H,1H3,(H,17,18)(H,19,20)
InChIKeyNJKIATAQBRLYQP-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

5-[(5-chloro-2-methylphenyl)carbamoyl]pyridine-2-carboxylic acid
CID 43414752
N-(5-chloro-2-methylphenyl)-3,5-dimethylbenzamide
CID 918666
N-(5-chloro-2-methylphenyl)-4-(trifluoromethoxy)benzamide
CID 2107466
N-(5-chloro-2-methylphenyl)-4-(ethylamino)benzamide
CID 62185728
N-(5-chloro-2-methylphenyl)-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide
CID 43333228
N-(5-chloro-2-methylphenyl)-4-(piperidine-1-carbonyl)benzamide
CID 109044656
4-(4-acetylpiperazine-1-carbonyl)-N-(5-chloro-2-methylphenyl)benzamide
CID 109046500
4-(tert-butylsulfamoyl)-N-(5-chloro-2-methylphenyl)benzamide
CID 29411178
N-(5-chloro-2-methylphenyl)-3-(methanesulfonamido)-4-methylbenzamide
CID 41453282
4-amino-3,5-dichloro-N-(5-chloro-2-methylphenyl)benzamide
CID 82833124
N-(5-chloro-2-methylphenyl)-3-methylbenzamide
CID 686530
N-(5-chloro-2-methylphenyl)-4-(difluoromethylsulfonyl)benzamide
CID 8502246

Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloro-2-methylphenyl)carbamoyl]benzoic acid?
The IUPAC name of 4-[(5-chloro-2-methylphenyl)carbamoyl]benzoic acid (CID 43386540) is 4-[(5-chloro-2-methylphenyl)carbamoyl]benzoic acid.
What is the SMILES notation for 4-[(5-chloro-2-methylphenyl)carbamoyl]benzoic acid?
The canonical SMILES for 4-[(5-chloro-2-methylphenyl)carbamoyl]benzoic acid is Cc1ccc(Cl)cc1NC(=O)c1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[(5-chloro-2-methylphenyl)carbamoyl]benzoic acid?
The InChIKey is NJKIATAQBRLYQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO3/c1-9-2-7-12(16)8-13(9)17-14(18)10-3-5-11(6-4-10)15(19)20/h2-8H,1H3,(H,17,18)(H,19,20).
What are the key properties of 4-[(5-chloro-2-methylphenyl)carbamoyl]benzoic acid?
4-[(5-chloro-2-methylphenyl)carbamoyl]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 4-[(5-chloro-2-methylphenyl)carbamoyl]benzoic acid is sourced from PubChem (CID 43386540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).