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

C14H9ClFNO4 — CID 107046351

IUPAC3-chloro-2-[(4-fluoro-2-hydroxybenzoyl)amino]benzoic acid
SMILESO=C(Nc1c(Cl)cccc1C(=O)O)c1ccc(F)cc1O
InChIInChI=1S/C14H9ClFNO4/c15-10-3-1-2-9(14(20)21)12(10)17-13(19)8-5-4-7(16)6-11(8)18/h1-6,18H,(H,17,19)(H,20,21)
InChIKeyXQSRBTLDFMVDJM-UHFFFAOYSA-N
MW309.68 g/mol
LogP3.14
Rot. Bonds3

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

3-chloro-2-[(4-fluoro-2-hydroxybenzoyl)amino]benzoic acid (PubChem CID 107046351) has the molecular formula C14H9ClFNO4 and a molecular weight of 309.68 g/mol. Its IUPAC name is 3-chloro-2-[(4-fluoro-2-hydroxybenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name3-chloro-2-[(4-fluoro-2-hydroxybenzoyl)amino]benzoic acid
PubChem CID107046351
Molecular FormulaC14H9ClFNO4
Molecular Weight309.68 g/mol
Exact Mass309.02
IUPAC Name3-chloro-2-[(4-fluoro-2-hydroxybenzoyl)amino]benzoic acid
SMILESO=C(Nc1c(Cl)cccc1C(=O)O)c1ccc(F)cc1O
InChIInChI=1S/C14H9ClFNO4/c15-10-3-1-2-9(14(20)21)12(10)17-13(19)8-5-4-7(16)6-11(8)18/h1-6,18H,(H,17,19)(H,20,21)
InChIKeyXQSRBTLDFMVDJM-UHFFFAOYSA-N
XLogP3.14
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.68
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-chloro-2-[(4-fluoro-2-hydroxybenzoyl)amino]benzoic 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

N-(2-chloro-6-methylphenyl)-4-fluoro-2-hydroxybenzamide
CID 103889268
4-fluoro-2-hydroxy-N-(2,4,6-trichlorophenyl)benzamide
CID 107015128
N-(2,6-difluorophenyl)-4-fluoro-2-hydroxybenzamide
CID 103888059
2-chloro-4-[(4-fluoro-2-hydroxybenzoyl)amino]benzoic acid
CID 107013493
3-chloro-2-[(2,5-dichlorobenzoyl)amino]benzoic acid
CID 107047080
2-[(2-bromo-3-fluorobenzoyl)amino]-3-chlorobenzoic acid
CID 107046859
3-chloro-2-[(3-chloro-4-hydroxybenzoyl)amino]benzoic acid
CID 107047518
3-chloro-2-[(2,4-dibromobenzoyl)amino]benzoic acid
CID 107938398
2-[(3-bromo-5-fluorobenzoyl)amino]-3-chlorobenzoic acid
CID 107047530
2-[(5-bromo-2-chlorobenzoyl)amino]-3-chlorobenzoic acid
CID 107046721
3-chloro-2-[(2-methylbenzoyl)amino]benzoic acid
CID 23208226
N-(2-chloro-6-methylphenyl)-4-fluoro-2-methylbenzamide
CID 113219145

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[(4-fluoro-2-hydroxybenzoyl)amino]benzoic acid?
The IUPAC name of 3-chloro-2-[(4-fluoro-2-hydroxybenzoyl)amino]benzoic acid (CID 107046351) is 3-chloro-2-[(4-fluoro-2-hydroxybenzoyl)amino]benzoic acid.
What is the SMILES notation for 3-chloro-2-[(4-fluoro-2-hydroxybenzoyl)amino]benzoic acid?
The canonical SMILES for 3-chloro-2-[(4-fluoro-2-hydroxybenzoyl)amino]benzoic acid is O=C(Nc1c(Cl)cccc1C(=O)O)c1ccc(F)cc1O.
What is the InChIKey of 3-chloro-2-[(4-fluoro-2-hydroxybenzoyl)amino]benzoic acid?
The InChIKey is XQSRBTLDFMVDJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClFNO4/c15-10-3-1-2-9(14(20)21)12(10)17-13(19)8-5-4-7(16)6-11(8)18/h1-6,18H,(H,17,19)(H,20,21).
What are the key properties of 3-chloro-2-[(4-fluoro-2-hydroxybenzoyl)amino]benzoic acid?
3-chloro-2-[(4-fluoro-2-hydroxybenzoyl)amino]benzoic acid has a molecular weight of 309.68 g/mol, XLogP of 3.14, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[(4-fluoro-2-hydroxybenzoyl)amino]benzoic acid is sourced from PubChem (CID 107046351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).