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

C14H11ClN2O3 — CID 169198581

IUPAC2-[[4-(5-chloro-2-pyridinyl)benzoyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1ccc(-c2ccc(Cl)cn2)cc1
InChIInChI=1S/C14H11ClN2O3/c15-11-5-6-12(16-7-11)9-1-3-10(4-2-9)14(20)17-8-13(18)19/h1-7H,8H2,(H,17,20)(H,18,19)
InChIKeyBAPOFEROVQJLGL-UHFFFAOYSA-N
MW290.71 g/mol
LogP2.22
Rot. Bonds4

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

2-[[4-(5-chloro-2-pyridinyl)benzoyl]amino]acetic acid (PubChem CID 169198581) has the molecular formula C14H11ClN2O3 and a molecular weight of 290.71 g/mol. Its IUPAC name is 2-[[4-(5-chloro-2-pyridinyl)benzoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[4-(5-chloro-2-pyridinyl)benzoyl]amino]acetic acid
PubChem CID169198581
Molecular FormulaC14H11ClN2O3
Molecular Weight290.71 g/mol
Exact Mass290.05
IUPAC Name2-[[4-(5-chloro-2-pyridinyl)benzoyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1ccc(-c2ccc(Cl)cn2)cc1
InChIInChI=1S/C14H11ClN2O3/c15-11-5-6-12(16-7-11)9-1-3-10(4-2-9)14(20)17-8-13(18)19/h1-7H,8H2,(H,17,20)(H,18,19)
InChIKeyBAPOFEROVQJLGL-UHFFFAOYSA-N
XLogP2.22
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.71
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[4-(5-chloro-2-pyridinyl)benzoyl]amino]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-[[4-(4-chlorophenoxy)benzoyl]amino]acetic acid
CID 66812377
N-(5-chloro-2-pyridinyl)-4-(5-propyl-2-pyridinyl)benzamide
CID 23740078
4-(carboxymethylcarbamoyl)benzoic acid
CID 166957862
2-[(3-chloro-4-fluorobenzoyl)amino]acetic acid
CID 80502677
4-(5-chloro-2-pyridinyl)-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 154904834
2-[[4-[[2-(4-chlorophenoxy)acetyl]amino]benzoyl]amino]acetic acid
CID 45434797
4-chloro-N-[2-oxo-2-(4-phenylphenyl)ethyl]benzamide
CID 732485
2-[(4-chlorobenzoyl)amino]acetic acid;(2S)-2,5-diaminopentanoic acid
CID 22807398
2-[[4-[[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-ethylamino]methyl]benzoyl]amino]acetic acid
CID 11524783
2-[(6-(18F)fluoropyridine-3-carbonyl)amino]acetic acid
CID 175904627
2-[[(4-chlorobenzoyl)amino]carbamoylamino]acetic acid
CID 172764619
2-[(4-chlorobenzoyl)amino]acetyl chloride
CID 14545092

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(5-chloro-2-pyridinyl)benzoyl]amino]acetic acid?
The IUPAC name of 2-[[4-(5-chloro-2-pyridinyl)benzoyl]amino]acetic acid (CID 169198581) is 2-[[4-(5-chloro-2-pyridinyl)benzoyl]amino]acetic acid.
What is the SMILES notation for 2-[[4-(5-chloro-2-pyridinyl)benzoyl]amino]acetic acid?
The canonical SMILES for 2-[[4-(5-chloro-2-pyridinyl)benzoyl]amino]acetic acid is O=C(O)CNC(=O)c1ccc(-c2ccc(Cl)cn2)cc1.
What is the InChIKey of 2-[[4-(5-chloro-2-pyridinyl)benzoyl]amino]acetic acid?
The InChIKey is BAPOFEROVQJLGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O3/c15-11-5-6-12(16-7-11)9-1-3-10(4-2-9)14(20)17-8-13(18)19/h1-7H,8H2,(H,17,20)(H,18,19).
What are the key properties of 2-[[4-(5-chloro-2-pyridinyl)benzoyl]amino]acetic acid?
2-[[4-(5-chloro-2-pyridinyl)benzoyl]amino]acetic acid has a molecular weight of 290.71 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(5-chloro-2-pyridinyl)benzoyl]amino]acetic acid is sourced from PubChem (CID 169198581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).