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

C14H10ClNO5 — CID 61405727

IUPAC2-[(4-chloro-2-hydroxybenzoyl)amino]-5-hydroxybenzoic acid
SMILESO=C(Nc1ccc(O)cc1C(=O)O)c1ccc(Cl)cc1O
InChIInChI=1S/C14H10ClNO5/c15-7-1-3-9(12(18)5-7)13(19)16-11-4-2-8(17)6-10(11)14(20)21/h1-6,17-18H,(H,16,19)(H,20,21)
InChIKeyFMVPHWBXNKWEAU-UHFFFAOYSA-N
MW307.69 g/mol
LogP2.70
Rot. Bonds3

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

2-[(4-chloro-2-hydroxybenzoyl)amino]-5-hydroxybenzoic acid (PubChem CID 61405727) has the molecular formula C14H10ClNO5 and a molecular weight of 307.69 g/mol. Its IUPAC name is 2-[(4-chloro-2-hydroxybenzoyl)amino]-5-hydroxybenzoic acid.

Molecular Properties

Compound Name2-[(4-chloro-2-hydroxybenzoyl)amino]-5-hydroxybenzoic acid
PubChem CID61405727
Molecular FormulaC14H10ClNO5
Molecular Weight307.69 g/mol
Exact Mass307.02
IUPAC Name2-[(4-chloro-2-hydroxybenzoyl)amino]-5-hydroxybenzoic acid
SMILESO=C(Nc1ccc(O)cc1C(=O)O)c1ccc(Cl)cc1O
InChIInChI=1S/C14H10ClNO5/c15-7-1-3-9(12(18)5-7)13(19)16-11-4-2-8(17)6-10(11)14(20)21/h1-6,17-18H,(H,16,19)(H,20,21)
InChIKeyFMVPHWBXNKWEAU-UHFFFAOYSA-N
XLogP2.70
TPSA106.86 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.69
LogP ≤ 52.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_acid_F(2)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Analyze 2-[(4-chloro-2-hydroxybenzoyl)amino]-5-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

2-[(4-bromo-2-hydroxybenzoyl)amino]-5-chlorobenzoic acid
CID 63405092
4-chloro-2-[(2-chloro-5-hydroxybenzoyl)amino]benzoic acid
CID 106500157
2-[(4-chloro-2-hydroxybenzoyl)amino]-4-phenylbenzoic acid
CID 46853577
4-chloro-2-[(2-fluoro-4-hydroxybenzoyl)amino]benzoic acid
CID 107674641
2-[(2-chloro-5-hydroxybenzoyl)amino]-5-iodobenzoic acid
CID 106500272
2-[(2,4-dichlorobenzoyl)amino]-5-methylbenzoic acid
CID 4287647
4-chloro-N-(4-fluoro-2-iodophenyl)-2-hydroxybenzamide
CID 79766720
2-[(2-fluoro-5-methylbenzoyl)amino]-5-hydroxybenzoic acid
CID 62514253
5-fluoro-2-[(2-fluoro-4-hydroxybenzoyl)amino]benzoic acid
CID 107674704
5-chloro-N-(2-fluoro-4-hydroxyphenyl)-2-hydroxybenzamide
CID 64793866
2-[(3-chloropyridine-4-carbonyl)amino]-5-hydroxybenzoic acid
CID 66463779
2,4-dichloro-N-(4-hydroxy-2-methylphenyl)benzamide
CID 849254

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-2-hydroxybenzoyl)amino]-5-hydroxybenzoic acid?
The IUPAC name of 2-[(4-chloro-2-hydroxybenzoyl)amino]-5-hydroxybenzoic acid (CID 61405727) is 2-[(4-chloro-2-hydroxybenzoyl)amino]-5-hydroxybenzoic acid.
What is the SMILES notation for 2-[(4-chloro-2-hydroxybenzoyl)amino]-5-hydroxybenzoic acid?
The canonical SMILES for 2-[(4-chloro-2-hydroxybenzoyl)amino]-5-hydroxybenzoic acid is O=C(Nc1ccc(O)cc1C(=O)O)c1ccc(Cl)cc1O.
What is the InChIKey of 2-[(4-chloro-2-hydroxybenzoyl)amino]-5-hydroxybenzoic acid?
The InChIKey is FMVPHWBXNKWEAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClNO5/c15-7-1-3-9(12(18)5-7)13(19)16-11-4-2-8(17)6-10(11)14(20)21/h1-6,17-18H,(H,16,19)(H,20,21).
What are the key properties of 2-[(4-chloro-2-hydroxybenzoyl)amino]-5-hydroxybenzoic acid?
2-[(4-chloro-2-hydroxybenzoyl)amino]-5-hydroxybenzoic acid has a molecular weight of 307.69 g/mol, XLogP of 2.70, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-2-hydroxybenzoyl)amino]-5-hydroxybenzoic acid is sourced from PubChem (CID 61405727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).