4-[(2-chloro-5-hydroxybenzoyl)amino]-3-methylbenzoic acid

C15H12ClNO4 — CID 106500177

IUPAC4-[(2-chloro-5-hydroxybenzoyl)amino]-3-methylbenzoic acid
SMILESCc1cc(C(=O)O)ccc1NC(=O)c1cc(O)ccc1Cl
InChIInChI=1S/C15H12ClNO4/c1-8-6-9(15(20)21)2-5-13(8)17-14(19)11-7-10(18)3-4-12(11)16/h2-7,18H,1H3,(H,17,19)(H,20,21)
InChIKeyNVCOGFBRNQNLFV-UHFFFAOYSA-N
MW305.72 g/mol
LogP3.30
Rot. Bonds3

About 4-[(2-chloro-5-hydroxybenzoyl)amino]-3-methylbenzoic acid

4-[(2-chloro-5-hydroxybenzoyl)amino]-3-methylbenzoic acid (PubChem CID 106500177) has the molecular formula C15H12ClNO4 and a molecular weight of 305.72 g/mol. Its IUPAC name is 4-[(2-chloro-5-hydroxybenzoyl)amino]-3-methylbenzoic acid.

Molecular Properties

Compound Name4-[(2-chloro-5-hydroxybenzoyl)amino]-3-methylbenzoic acid
PubChem CID106500177
Molecular FormulaC15H12ClNO4
Molecular Weight305.72 g/mol
Exact Mass305.05
IUPAC Name4-[(2-chloro-5-hydroxybenzoyl)amino]-3-methylbenzoic acid
SMILESCc1cc(C(=O)O)ccc1NC(=O)c1cc(O)ccc1Cl
InChIInChI=1S/C15H12ClNO4/c1-8-6-9(15(20)21)2-5-13(8)17-14(19)11-7-10(18)3-4-12(11)16/h2-7,18H,1H3,(H,17,19)(H,20,21)
InChIKeyNVCOGFBRNQNLFV-UHFFFAOYSA-N
XLogP3.30
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.72
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-(2,4-dimethylphenyl)-5-hydroxybenzamide
CID 106501171
4-[(2-fluoro-4-hydroxybenzoyl)amino]-3-methylbenzoic acid
CID 107674680
4-bromo-3-[(2-chloro-5-hydroxybenzoyl)amino]benzoic acid
CID 107812576
4-[[2-chloro-5-(3-chlorophenyl)benzoyl]amino]-3-methylbenzoic acid
CID 78319441
4-[(4-chloropyridine-3-carbonyl)amino]-3-methylbenzoic acid
CID 81226642
4-[(3-bromo-4-chlorobenzoyl)amino]-3-methylbenzoic acid
CID 107997716
2-chloro-N-(2,5-dichloro-4-methylphenyl)-5-hydroxybenzamide
CID 106502134
2-[(2-chloro-5-hydroxybenzoyl)amino]-5-iodobenzoic acid
CID 106500272
3-methyl-4-[(4-methylbenzoyl)amino]benzoic acid
CID 16777399
4-hydroxy-3-[(4-hydroxy-2-methylbenzoyl)amino]benzoic acid
CID 107670939
2,4-dichloro-N-(4-hydroxy-2-methylphenyl)benzamide
CID 849254
4-chloro-3-[(2-fluoro-4-hydroxybenzoyl)amino]benzoic acid
CID 107674694

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chloro-5-hydroxybenzoyl)amino]-3-methylbenzoic acid?
The IUPAC name of 4-[(2-chloro-5-hydroxybenzoyl)amino]-3-methylbenzoic acid (CID 106500177) is 4-[(2-chloro-5-hydroxybenzoyl)amino]-3-methylbenzoic acid.
What is the SMILES notation for 4-[(2-chloro-5-hydroxybenzoyl)amino]-3-methylbenzoic acid?
The canonical SMILES for 4-[(2-chloro-5-hydroxybenzoyl)amino]-3-methylbenzoic acid is Cc1cc(C(=O)O)ccc1NC(=O)c1cc(O)ccc1Cl.
What is the InChIKey of 4-[(2-chloro-5-hydroxybenzoyl)amino]-3-methylbenzoic acid?
The InChIKey is NVCOGFBRNQNLFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO4/c1-8-6-9(15(20)21)2-5-13(8)17-14(19)11-7-10(18)3-4-12(11)16/h2-7,18H,1H3,(H,17,19)(H,20,21).
What are the key properties of 4-[(2-chloro-5-hydroxybenzoyl)amino]-3-methylbenzoic acid?
4-[(2-chloro-5-hydroxybenzoyl)amino]-3-methylbenzoic acid has a molecular weight of 305.72 g/mol, XLogP of 3.30, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chloro-5-hydroxybenzoyl)amino]-3-methylbenzoic acid is sourced from PubChem (CID 106500177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).