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

C14H9Cl2NO4 — CID 107047518

IUPAC3-chloro-2-[(3-chloro-4-hydroxybenzoyl)amino]benzoic acid
SMILESO=C(Nc1c(Cl)cccc1C(=O)O)c1ccc(O)c(Cl)c1
InChIInChI=1S/C14H9Cl2NO4/c15-9-3-1-2-8(14(20)21)12(9)17-13(19)7-4-5-11(18)10(16)6-7/h1-6,18H,(H,17,19)(H,20,21)
InChIKeyNNFMNGMZFGZKOL-UHFFFAOYSA-N
MW326.14 g/mol
LogP3.65
Rot. Bonds3

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

3-chloro-2-[(3-chloro-4-hydroxybenzoyl)amino]benzoic acid (PubChem CID 107047518) has the molecular formula C14H9Cl2NO4 and a molecular weight of 326.14 g/mol. Its IUPAC name is 3-chloro-2-[(3-chloro-4-hydroxybenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name3-chloro-2-[(3-chloro-4-hydroxybenzoyl)amino]benzoic acid
PubChem CID107047518
Molecular FormulaC14H9Cl2NO4
Molecular Weight326.14 g/mol
Exact Mass324.99
IUPAC Name3-chloro-2-[(3-chloro-4-hydroxybenzoyl)amino]benzoic acid
SMILESO=C(Nc1c(Cl)cccc1C(=O)O)c1ccc(O)c(Cl)c1
InChIInChI=1S/C14H9Cl2NO4/c15-9-3-1-2-8(14(20)21)12(9)17-13(19)7-4-5-11(18)10(16)6-7/h1-6,18H,(H,17,19)(H,20,21)
InChIKeyNNFMNGMZFGZKOL-UHFFFAOYSA-N
XLogP3.65
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.14
LogP ≤ 53.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-chloro-2-[(3-chloro-4-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

3-chloro-2-[[4-(hydroxymethyl)benzoyl]amino]benzoic acid
CID 107046744
3-chloro-2-[(3-methoxybenzoyl)amino]benzoic acid
CID 107046812
3-chloro-2-[(4-fluoro-2-hydroxybenzoyl)amino]benzoic acid
CID 107046351
3-chloro-2-[(2,5-dichlorobenzoyl)amino]benzoic acid
CID 107047080
2-[(3-chloro-4-iodobenzoyl)amino]-3-methylbenzoic acid
CID 103218854
2-[(3-bromo-5-fluorobenzoyl)amino]-3-chlorobenzoic acid
CID 107047530
2-[(5-bromo-2-chlorobenzoyl)amino]-3-chlorobenzoic acid
CID 107046721
N-(2-chloro-6-fluorophenyl)-3,4-dihydroxybenzamide
CID 107728554
N-(2-bromo-6-fluorophenyl)-3-chloro-4-hydroxybenzamide
CID 107600810
3-chloro-2-[(2-methylbenzoyl)amino]benzoic acid
CID 23208226
3-chloro-2-[(2,4-dibromobenzoyl)amino]benzoic acid
CID 107938398
3-chloro-N-(2-chloro-4-hydroxyphenyl)-4-hydroxybenzamide
CID 64787162

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[(3-chloro-4-hydroxybenzoyl)amino]benzoic acid?
The IUPAC name of 3-chloro-2-[(3-chloro-4-hydroxybenzoyl)amino]benzoic acid (CID 107047518) is 3-chloro-2-[(3-chloro-4-hydroxybenzoyl)amino]benzoic acid.
What is the SMILES notation for 3-chloro-2-[(3-chloro-4-hydroxybenzoyl)amino]benzoic acid?
The canonical SMILES for 3-chloro-2-[(3-chloro-4-hydroxybenzoyl)amino]benzoic acid is O=C(Nc1c(Cl)cccc1C(=O)O)c1ccc(O)c(Cl)c1.
What is the InChIKey of 3-chloro-2-[(3-chloro-4-hydroxybenzoyl)amino]benzoic acid?
The InChIKey is NNFMNGMZFGZKOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2NO4/c15-9-3-1-2-8(14(20)21)12(9)17-13(19)7-4-5-11(18)10(16)6-7/h1-6,18H,(H,17,19)(H,20,21).
What are the key properties of 3-chloro-2-[(3-chloro-4-hydroxybenzoyl)amino]benzoic acid?
3-chloro-2-[(3-chloro-4-hydroxybenzoyl)amino]benzoic acid has a molecular weight of 326.14 g/mol, XLogP of 3.65, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[(3-chloro-4-hydroxybenzoyl)amino]benzoic acid is sourced from PubChem (CID 107047518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).