2-[2-amino-3-(2-chlorobenzoyl)phenyl]acetic acid

C15H12ClNO3 — CID 13408189

IUPAC2-[2-amino-3-(2-chlorobenzoyl)phenyl]acetic acid
SMILESNc1c(CC(=O)O)cccc1C(=O)c1ccccc1Cl
InChIInChI=1S/C15H12ClNO3/c16-12-7-2-1-5-10(12)15(20)11-6-3-4-9(14(11)17)8-13(18)19/h1-7H,8,17H2,(H,18,19)
InChIKeyZRZFVVXKCBZDBS-UHFFFAOYSA-N
MW289.72 g/mol
LogP2.78
Rot. Bonds4

About 2-[2-amino-3-(2-chlorobenzoyl)phenyl]acetic acid

2-[2-amino-3-(2-chlorobenzoyl)phenyl]acetic acid (PubChem CID 13408189) has the molecular formula C15H12ClNO3 and a molecular weight of 289.72 g/mol. Its IUPAC name is 2-[2-amino-3-(2-chlorobenzoyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-amino-3-(2-chlorobenzoyl)phenyl]acetic acid
PubChem CID13408189
Molecular FormulaC15H12ClNO3
Molecular Weight289.72 g/mol
Exact Mass289.05
IUPAC Name2-[2-amino-3-(2-chlorobenzoyl)phenyl]acetic acid
SMILESNc1c(CC(=O)O)cccc1C(=O)c1ccccc1Cl
InChIInChI=1S/C15H12ClNO3/c16-12-7-2-1-5-10(12)15(20)11-6-3-4-9(14(11)17)8-13(18)19/h1-7H,8,17H2,(H,18,19)
InChIKeyZRZFVVXKCBZDBS-UHFFFAOYSA-N
XLogP2.78
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.72
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-[2-amino-3-(2-chlorobenzoyl)phenyl]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

sodium;2-[2-amino-3-(4-bromobenzoyl)phenyl]acetic acid;hydride;hydrate
CID 175430044
sodium;2-(2-chlorophenyl)acetic acid;hydride
CID 174699179
2-(3-carbamoyl-2-chlorophenyl)acetic acid
CID 71239300
2-[2-(3-chloro-2-methylphenyl)phenyl]acetic acid
CID 123817311
(2-chlorophenyl)methyl 2-amino-3-chlorobenzoate
CID 115279797
2-(2-chlorophenyl)acetic acid;sulfuric acid
CID 158269272
2-(2-amino-3-iodophenyl)acetic acid
CID 91873765
(2-amino-5-chlorophenyl)-(2-chlorophenyl)methanone
CID 18069
(2-chlorophenyl)-phenylmethanone;diphenylmethanone
CID 157388336
2-[2-amino-3-(4-propan-2-ylbenzenecarbothioyl)phenyl]acetic acid
CID 57125787
1-(2-chlorophenyl)-2-(2,3-dichlorophenyl)ethanone
CID 107307846
2-[(2-amino-3-chlorobenzoyl)-(carboxymethyl)amino]acetic acid
CID 82546684

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-3-(2-chlorobenzoyl)phenyl]acetic acid?
The IUPAC name of 2-[2-amino-3-(2-chlorobenzoyl)phenyl]acetic acid (CID 13408189) is 2-[2-amino-3-(2-chlorobenzoyl)phenyl]acetic acid.
What is the SMILES notation for 2-[2-amino-3-(2-chlorobenzoyl)phenyl]acetic acid?
The canonical SMILES for 2-[2-amino-3-(2-chlorobenzoyl)phenyl]acetic acid is Nc1c(CC(=O)O)cccc1C(=O)c1ccccc1Cl.
What is the InChIKey of 2-[2-amino-3-(2-chlorobenzoyl)phenyl]acetic acid?
The InChIKey is ZRZFVVXKCBZDBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO3/c16-12-7-2-1-5-10(12)15(20)11-6-3-4-9(14(11)17)8-13(18)19/h1-7H,8,17H2,(H,18,19).
What are the key properties of 2-[2-amino-3-(2-chlorobenzoyl)phenyl]acetic acid?
2-[2-amino-3-(2-chlorobenzoyl)phenyl]acetic acid has a molecular weight of 289.72 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-3-(2-chlorobenzoyl)phenyl]acetic acid is sourced from PubChem (CID 13408189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).