2-[5-[(4-chloro-3-methylbenzoyl)amino]-2-pyridinyl]acetic acid

C15H13ClN2O3 — CID 107339418

IUPAC2-[5-[(4-chloro-3-methylbenzoyl)amino]-2-pyridinyl]acetic acid
SMILESCc1cc(C(=O)Nc2ccc(CC(=O)O)nc2)ccc1Cl
InChIInChI=1S/C15H13ClN2O3/c1-9-6-10(2-5-13(9)16)15(21)18-12-4-3-11(17-8-12)7-14(19)20/h2-6,8H,7H2,1H3,(H,18,21)(H,19,20)
InChIKeyXIVCPWVTEKRQKN-UHFFFAOYSA-N
MW304.73 g/mol
LogP2.92
Rot. Bonds4

About 2-[5-[(4-chloro-3-methylbenzoyl)amino]-2-pyridinyl]acetic acid

2-[5-[(4-chloro-3-methylbenzoyl)amino]-2-pyridinyl]acetic acid (PubChem CID 107339418) has the molecular formula C15H13ClN2O3 and a molecular weight of 304.73 g/mol. Its IUPAC name is 2-[5-[(4-chloro-3-methylbenzoyl)amino]-2-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[5-[(4-chloro-3-methylbenzoyl)amino]-2-pyridinyl]acetic acid
PubChem CID107339418
Molecular FormulaC15H13ClN2O3
Molecular Weight304.73 g/mol
Exact Mass304.06
IUPAC Name2-[5-[(4-chloro-3-methylbenzoyl)amino]-2-pyridinyl]acetic acid
SMILESCc1cc(C(=O)Nc2ccc(CC(=O)O)nc2)ccc1Cl
InChIInChI=1S/C15H13ClN2O3/c1-9-6-10(2-5-13(9)16)15(21)18-12-4-3-11(17-8-12)7-14(19)20/h2-6,8H,7H2,1H3,(H,18,21)(H,19,20)
InChIKeyXIVCPWVTEKRQKN-UHFFFAOYSA-N
XLogP2.92
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.73
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[5-[(4-chloro-3-methylbenzoyl)amino]-2-pyridinyl]acetic 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-[5-[(3-chlorobenzoyl)amino]-2-pyridinyl]acetic acid
CID 107338354
2-[5-[(2,4-dimethylbenzoyl)amino]-2-pyridinyl]acetic acid
CID 107338774
2-[5-[(4-iodobenzoyl)amino]-2-pyridinyl]acetic acid
CID 107338975
4-chloro-N-(4-fluorophenyl)-3-methylbenzamide
CID 122630273
2-[5-[(5-bromo-2-methylbenzoyl)amino]-2-pyridinyl]acetic acid
CID 107339399
2-[5-[(2,5-dimethylfuran-3-carbonyl)amino]-2-pyridinyl]acetic acid
CID 107338349
6-chloro-N-(4-chloro-3-methylphenyl)pyridine-3-carboxamide
CID 91312921
2-[5-[(4-chloro-1-ethylpyrrole-2-carbonyl)amino]-2-pyridinyl]acetic acid
CID 107338885
2-[5-(ethoxycarbonylamino)-2-pyridinyl]acetic acid
CID 107339556
N-(6-amino-3-pyridinyl)-3,4-dimethylbenzamide
CID 62899740
N-(6-chloro-3-pyridinyl)-4-fluoro-3-methylbenzamide
CID 78929782
2-[5-[(2-bromofuran-3-carbonyl)amino]-2-pyridinyl]acetic acid
CID 107338762

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(4-chloro-3-methylbenzoyl)amino]-2-pyridinyl]acetic acid?
The IUPAC name of 2-[5-[(4-chloro-3-methylbenzoyl)amino]-2-pyridinyl]acetic acid (CID 107339418) is 2-[5-[(4-chloro-3-methylbenzoyl)amino]-2-pyridinyl]acetic acid.
What is the SMILES notation for 2-[5-[(4-chloro-3-methylbenzoyl)amino]-2-pyridinyl]acetic acid?
The canonical SMILES for 2-[5-[(4-chloro-3-methylbenzoyl)amino]-2-pyridinyl]acetic acid is Cc1cc(C(=O)Nc2ccc(CC(=O)O)nc2)ccc1Cl.
What is the InChIKey of 2-[5-[(4-chloro-3-methylbenzoyl)amino]-2-pyridinyl]acetic acid?
The InChIKey is XIVCPWVTEKRQKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O3/c1-9-6-10(2-5-13(9)16)15(21)18-12-4-3-11(17-8-12)7-14(19)20/h2-6,8H,7H2,1H3,(H,18,21)(H,19,20).
What are the key properties of 2-[5-[(4-chloro-3-methylbenzoyl)amino]-2-pyridinyl]acetic acid?
2-[5-[(4-chloro-3-methylbenzoyl)amino]-2-pyridinyl]acetic acid has a molecular weight of 304.73 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(4-chloro-3-methylbenzoyl)amino]-2-pyridinyl]acetic acid is sourced from PubChem (CID 107339418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).