3-chloro-2-[[2-(3-methyl-2-pyridinyl)acetyl]amino]benzoic acid

C15H13ClN2O3 — CID 107147337

IUPAC3-chloro-2-[[2-(3-methyl-2-pyridinyl)acetyl]amino]benzoic acid
SMILESCc1cccnc1CC(=O)Nc1c(Cl)cccc1C(=O)O
InChIInChI=1S/C15H13ClN2O3/c1-9-4-3-7-17-12(9)8-13(19)18-14-10(15(20)21)5-2-6-11(14)16/h2-7H,8H2,1H3,(H,18,19)(H,20,21)
InChIKeyXXXHSEHNLBXVHF-UHFFFAOYSA-N
MW304.73 g/mol
LogP2.92
Rot. Bonds4

About 3-chloro-2-[[2-(3-methyl-2-pyridinyl)acetyl]amino]benzoic acid

3-chloro-2-[[2-(3-methyl-2-pyridinyl)acetyl]amino]benzoic acid (PubChem CID 107147337) has the molecular formula C15H13ClN2O3 and a molecular weight of 304.73 g/mol. Its IUPAC name is 3-chloro-2-[[2-(3-methyl-2-pyridinyl)acetyl]amino]benzoic acid.

Molecular Properties

Compound Name3-chloro-2-[[2-(3-methyl-2-pyridinyl)acetyl]amino]benzoic acid
PubChem CID107147337
Molecular FormulaC15H13ClN2O3
Molecular Weight304.73 g/mol
Exact Mass304.06
IUPAC Name3-chloro-2-[[2-(3-methyl-2-pyridinyl)acetyl]amino]benzoic acid
SMILESCc1cccnc1CC(=O)Nc1c(Cl)cccc1C(=O)O
InChIInChI=1S/C15H13ClN2O3/c1-9-4-3-7-17-12(9)8-13(19)18-14-10(15(20)21)5-2-6-11(14)16/h2-7H,8H2,1H3,(H,18,19)(H,20,21)
InChIKeyXXXHSEHNLBXVHF-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 3-chloro-2-[[2-(3-methyl-2-pyridinyl)acetyl]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-bromo-2-[[2-(3-methyl-2-pyridinyl)acetyl]amino]benzoic acid
CID 107147183
N-(2,6-dichlorophenyl)-2-[(3-methyl-2-pyridinyl)methylamino]acetamide
CID 63306342
3-chloro-2-[(2-methylbenzoyl)amino]benzoic acid
CID 23208226
N-methyl-2-(3-methyl-2-pyridinyl)acetamide
CID 13400651
2-[2-(4-chloroanilino)-2-oxoethyl]pyridine-3-carboxylic acid
CID 71428500
2-(3-carboxypropanoylamino)-3-chlorobenzoic acid
CID 110465790
2-[(3-ethyl-2-pyridinyl)methylamino]-3-methylbenzoic acid
CID 107112351
3-chloro-2-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]benzoic acid
CID 107046941
2-(2-anilino-2-oxoethyl)pyridine-3-carboxylic acid
CID 22307391
3-methyl-2-[[2-(4-methylphenyl)acetyl]amino]benzoic acid
CID 43235606
3-methyl-2-[(3-methylpyridine-2-carbonyl)amino]benzoic acid
CID 62340624
1-(2-bromo-3-methylphenyl)-2-(3-methyl-2-pyridinyl)ethanone
CID 107982894

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[[2-(3-methyl-2-pyridinyl)acetyl]amino]benzoic acid?
The IUPAC name of 3-chloro-2-[[2-(3-methyl-2-pyridinyl)acetyl]amino]benzoic acid (CID 107147337) is 3-chloro-2-[[2-(3-methyl-2-pyridinyl)acetyl]amino]benzoic acid.
What is the SMILES notation for 3-chloro-2-[[2-(3-methyl-2-pyridinyl)acetyl]amino]benzoic acid?
The canonical SMILES for 3-chloro-2-[[2-(3-methyl-2-pyridinyl)acetyl]amino]benzoic acid is Cc1cccnc1CC(=O)Nc1c(Cl)cccc1C(=O)O.
What is the InChIKey of 3-chloro-2-[[2-(3-methyl-2-pyridinyl)acetyl]amino]benzoic acid?
The InChIKey is XXXHSEHNLBXVHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O3/c1-9-4-3-7-17-12(9)8-13(19)18-14-10(15(20)21)5-2-6-11(14)16/h2-7H,8H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 3-chloro-2-[[2-(3-methyl-2-pyridinyl)acetyl]amino]benzoic acid?
3-chloro-2-[[2-(3-methyl-2-pyridinyl)acetyl]amino]benzoic 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 3-chloro-2-[[2-(3-methyl-2-pyridinyl)acetyl]amino]benzoic acid is sourced from PubChem (CID 107147337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).