2-[(6-chloropyridine-3-carbonyl)amino]-4-phenylbenzoic acid

C19H13ClN2O3 — CID 87408033

IUPAC2-[(6-chloropyridine-3-carbonyl)amino]-4-phenylbenzoic acid
SMILESO=C(Nc1cc(-c2ccccc2)ccc1C(=O)O)c1ccc(Cl)nc1
InChIInChI=1S/C19H13ClN2O3/c20-17-9-7-14(11-21-17)18(23)22-16-10-13(6-8-15(16)19(24)25)12-4-2-1-3-5-12/h1-11H,(H,22,23)(H,24,25)
InChIKeyPDGLWHKDYZIUAG-UHFFFAOYSA-N
MW352.78 g/mol
LogP4.35
Rot. Bonds4

About 2-[(6-chloropyridine-3-carbonyl)amino]-4-phenylbenzoic acid

2-[(6-chloropyridine-3-carbonyl)amino]-4-phenylbenzoic acid (PubChem CID 87408033) has the molecular formula C19H13ClN2O3 and a molecular weight of 352.78 g/mol. Its IUPAC name is 2-[(6-chloropyridine-3-carbonyl)amino]-4-phenylbenzoic acid.

Molecular Properties

Compound Name2-[(6-chloropyridine-3-carbonyl)amino]-4-phenylbenzoic acid
PubChem CID87408033
Molecular FormulaC19H13ClN2O3
Molecular Weight352.78 g/mol
Exact Mass352.06
IUPAC Name2-[(6-chloropyridine-3-carbonyl)amino]-4-phenylbenzoic acid
SMILESO=C(Nc1cc(-c2ccccc2)ccc1C(=O)O)c1ccc(Cl)nc1
InChIInChI=1S/C19H13ClN2O3/c20-17-9-7-14(11-21-17)18(23)22-16-10-13(6-8-15(16)19(24)25)12-4-2-1-3-5-12/h1-11H,(H,22,23)(H,24,25)
InChIKeyPDGLWHKDYZIUAG-UHFFFAOYSA-N
XLogP4.35
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.78
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-[(6-chloropyridine-3-carbonyl)amino]-4-phenylbenzoic 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

4-phenyl-2-[(6-pyridin-4-ylpyridine-3-carbonyl)amino]benzoic acid
CID 58508716
2-[(2-carboxybenzoyl)amino]-4-phenylbenzoic acid
CID 167346908
2-[(4-chloro-2-hydroxybenzoyl)amino]-4-phenylbenzoic acid
CID 46853577
2-[(2-hydroxy-4-pyrimidin-2-ylbenzoyl)amino]-4-phenylbenzoic acid
CID 66990128
sodium;hydride;4-phenyl-2-[(5-pyridin-4-ylpyridine-3-carbonyl)amino]benzoic acid
CID 173036826
2-benzamido-4-(3-chloro-4-fluorophenyl)benzoic acid
CID 67341971
6-chloro-N-(2-methylphenyl)pyridine-3-carboxamide
CID 2599141
4-[3-(dimethylamino)phenyl]-2-[(5-phenylpyridine-3-carbonyl)amino]benzoic acid
CID 66990541
4-phenyl-2-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]benzoic acid
CID 67343979
6-chloro-N-[2-(hydroxymethyl)phenyl]pyridine-3-carboxamide
CID 60655184
methyl 2-[(6-chloropyridine-3-carbonyl)amino]benzoate
CID 18273877
6-chloro-N-(5-phenyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 27991303

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloropyridine-3-carbonyl)amino]-4-phenylbenzoic acid?
The IUPAC name of 2-[(6-chloropyridine-3-carbonyl)amino]-4-phenylbenzoic acid (CID 87408033) is 2-[(6-chloropyridine-3-carbonyl)amino]-4-phenylbenzoic acid.
What is the SMILES notation for 2-[(6-chloropyridine-3-carbonyl)amino]-4-phenylbenzoic acid?
The canonical SMILES for 2-[(6-chloropyridine-3-carbonyl)amino]-4-phenylbenzoic acid is O=C(Nc1cc(-c2ccccc2)ccc1C(=O)O)c1ccc(Cl)nc1.
What is the InChIKey of 2-[(6-chloropyridine-3-carbonyl)amino]-4-phenylbenzoic acid?
The InChIKey is PDGLWHKDYZIUAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN2O3/c20-17-9-7-14(11-21-17)18(23)22-16-10-13(6-8-15(16)19(24)25)12-4-2-1-3-5-12/h1-11H,(H,22,23)(H,24,25).
What are the key properties of 2-[(6-chloropyridine-3-carbonyl)amino]-4-phenylbenzoic acid?
2-[(6-chloropyridine-3-carbonyl)amino]-4-phenylbenzoic acid has a molecular weight of 352.78 g/mol, XLogP of 4.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloropyridine-3-carbonyl)amino]-4-phenylbenzoic acid is sourced from PubChem (CID 87408033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).