4-[(2-chloro-4-methoxybenzoyl)amino]-3-hydroxybenzoic acid

C15H12ClNO5 — CID 58230869

IUPAC4-[(2-chloro-4-methoxybenzoyl)amino]-3-hydroxybenzoic acid
SMILESCOc1ccc(C(=O)Nc2ccc(C(=O)O)cc2O)c(Cl)c1
InChIInChI=1S/C15H12ClNO5/c1-22-9-3-4-10(11(16)7-9)14(19)17-12-5-2-8(15(20)21)6-13(12)18/h2-7,18H,1H3,(H,17,19)(H,20,21)
InChIKeyNMVWMOYZZGIFTJ-UHFFFAOYSA-N
MW321.72 g/mol
LogP3.00
Rot. Bonds4

About 4-[(2-chloro-4-methoxybenzoyl)amino]-3-hydroxybenzoic acid

4-[(2-chloro-4-methoxybenzoyl)amino]-3-hydroxybenzoic acid (PubChem CID 58230869) has the molecular formula C15H12ClNO5 and a molecular weight of 321.72 g/mol. Its IUPAC name is 4-[(2-chloro-4-methoxybenzoyl)amino]-3-hydroxybenzoic acid.

Molecular Properties

Compound Name4-[(2-chloro-4-methoxybenzoyl)amino]-3-hydroxybenzoic acid
PubChem CID58230869
Molecular FormulaC15H12ClNO5
Molecular Weight321.72 g/mol
Exact Mass321.04
IUPAC Name4-[(2-chloro-4-methoxybenzoyl)amino]-3-hydroxybenzoic acid
SMILESCOc1ccc(C(=O)Nc2ccc(C(=O)O)cc2O)c(Cl)c1
InChIInChI=1S/C15H12ClNO5/c1-22-9-3-4-10(11(16)7-9)14(19)17-12-5-2-8(15(20)21)6-13(12)18/h2-7,18H,1H3,(H,17,19)(H,20,21)
InChIKeyNMVWMOYZZGIFTJ-UHFFFAOYSA-N
XLogP3.00
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.72
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze 4-[(2-chloro-4-methoxybenzoyl)amino]-3-hydroxybenzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-hydroxy-4-[(3-methoxybenzoyl)amino]benzoic acid
CID 60827348
4-[(5-chloro-2-methoxybenzoyl)amino]-3-hydroxybenzoic acid
CID 108766491
4-amino-3,5-dichloro-N-(2-hydroxy-4-methoxyphenyl)benzamide
CID 102695314
4-[(2,6-dichlorobenzoyl)amino]-3-hydroxybenzoic acid
CID 60825182
2-chloro-N-(2,4-dimethoxyphenyl)benzamide
CID 722324
2-chloro-N-(2,4-dimethoxyphenyl)-4-methylbenzamide
CID 885610
4-[(3,5-dichlorobenzoyl)amino]-3-hydroxybenzoic acid;ethane
CID 153343129
N-(2-chloro-4-hydroxyphenyl)-4-methoxybenzamide;N-(2-chloro-4-methoxyphenyl)-4-methoxybenzamide
CID 86605166
4-[(2,6-dimethylpyridine-3-carbonyl)amino]-3-hydroxybenzoic acid
CID 62830080
N-(2-chloro-5-methoxyphenyl)-2,5-dihydroxybenzamide
CID 107722765
3-hydroxy-4-[(2,3,6-trichlorobenzoyl)amino]benzoic acid
CID 108744147
3-[(4-bromo-2-chlorobenzoyl)amino]-4-hydroxybenzoic acid
CID 107264740

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chloro-4-methoxybenzoyl)amino]-3-hydroxybenzoic acid?
The IUPAC name of 4-[(2-chloro-4-methoxybenzoyl)amino]-3-hydroxybenzoic acid (CID 58230869) is 4-[(2-chloro-4-methoxybenzoyl)amino]-3-hydroxybenzoic acid.
What is the SMILES notation for 4-[(2-chloro-4-methoxybenzoyl)amino]-3-hydroxybenzoic acid?
The canonical SMILES for 4-[(2-chloro-4-methoxybenzoyl)amino]-3-hydroxybenzoic acid is COc1ccc(C(=O)Nc2ccc(C(=O)O)cc2O)c(Cl)c1.
What is the InChIKey of 4-[(2-chloro-4-methoxybenzoyl)amino]-3-hydroxybenzoic acid?
The InChIKey is NMVWMOYZZGIFTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO5/c1-22-9-3-4-10(11(16)7-9)14(19)17-12-5-2-8(15(20)21)6-13(12)18/h2-7,18H,1H3,(H,17,19)(H,20,21).
What are the key properties of 4-[(2-chloro-4-methoxybenzoyl)amino]-3-hydroxybenzoic acid?
4-[(2-chloro-4-methoxybenzoyl)amino]-3-hydroxybenzoic acid has a molecular weight of 321.72 g/mol, XLogP of 3.00, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chloro-4-methoxybenzoyl)amino]-3-hydroxybenzoic acid is sourced from PubChem (CID 58230869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).