2-(N-(2-aminobenzoyl)-4-chloroanilino)acetic acid

C15H13ClN2O3 — CID 61214109

IUPAC2-(N-(2-aminobenzoyl)-4-chloroanilino)acetic acid
SMILESNc1ccccc1C(=O)N(CC(=O)O)c1ccc(Cl)cc1
InChIInChI=1S/C15H13ClN2O3/c16-10-5-7-11(8-6-10)18(9-14(19)20)15(21)12-3-1-2-4-13(12)17/h1-8H,9,17H2,(H,19,20)
InChIKeyMRNKMDWZOIGXJX-UHFFFAOYSA-N
MW304.73 g/mol
LogP2.65
Rot. Bonds4

About 2-(N-(2-aminobenzoyl)-4-chloroanilino)acetic acid

2-(N-(2-aminobenzoyl)-4-chloroanilino)acetic acid (PubChem CID 61214109) has the molecular formula C15H13ClN2O3 and a molecular weight of 304.73 g/mol. Its IUPAC name is 2-(N-(2-aminobenzoyl)-4-chloroanilino)acetic acid.

Molecular Properties

Compound Name2-(N-(2-aminobenzoyl)-4-chloroanilino)acetic acid
PubChem CID61214109
Molecular FormulaC15H13ClN2O3
Molecular Weight304.73 g/mol
Exact Mass304.06
IUPAC Name2-(N-(2-aminobenzoyl)-4-chloroanilino)acetic acid
SMILESNc1ccccc1C(=O)N(CC(=O)O)c1ccc(Cl)cc1
InChIInChI=1S/C15H13ClN2O3/c16-10-5-7-11(8-6-10)18(9-14(19)20)15(21)12-3-1-2-4-13(12)17/h1-8H,9,17H2,(H,19,20)
InChIKeyMRNKMDWZOIGXJX-UHFFFAOYSA-N
XLogP2.65
TPSA83.63 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 ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-(N-(2-aminobenzoyl)-4-chloroanilino)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-(3,5-dichloro-N-(2-hydroxybenzoyl)anilino)acetic acid
CID 44563691
2-(N-(2-hydroxybenzoyl)-4-methylanilino)acetic acid
CID 60831615
2-[4-chloro-N-(phenylcarbamoyl)anilino]acetic acid
CID 60829611
2-(N-(4-bromobenzoyl)-4-chloroanilino)acetic acid
CID 60825460
2-(N-(2-amino-5-fluorobenzoyl)anilino)acetic acid
CID 61162239
2-(4-chloro-N-phenylmethoxycarbonylanilino)acetic acid
CID 60825920
2-(N-(3-chloro-2-methylbenzoyl)anilino)acetic acid
CID 107095859
2-(N-(2-amino-5-cyanobenzoyl)anilino)acetic acid
CID 22382647
2-(N-(3-bromopyridine-2-carbonyl)-4-chloroanilino)acetic acid
CID 107517015
2-(4-chloro-N-(1,5-dimethylpyrazole-4-carbonyl)anilino)acetic acid
CID 60825165
2-(4-chloro-N-(1-methylpyrrole-2-carbonyl)anilino)acetic acid
CID 60826824
2-[4-chloro-N-(2-methylpropylcarbamoyl)anilino]acetic acid
CID 61189187

Frequently Asked Questions

What is the IUPAC name of 2-(N-(2-aminobenzoyl)-4-chloroanilino)acetic acid?
The IUPAC name of 2-(N-(2-aminobenzoyl)-4-chloroanilino)acetic acid (CID 61214109) is 2-(N-(2-aminobenzoyl)-4-chloroanilino)acetic acid.
What is the SMILES notation for 2-(N-(2-aminobenzoyl)-4-chloroanilino)acetic acid?
The canonical SMILES for 2-(N-(2-aminobenzoyl)-4-chloroanilino)acetic acid is Nc1ccccc1C(=O)N(CC(=O)O)c1ccc(Cl)cc1.
What is the InChIKey of 2-(N-(2-aminobenzoyl)-4-chloroanilino)acetic acid?
The InChIKey is MRNKMDWZOIGXJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O3/c16-10-5-7-11(8-6-10)18(9-14(19)20)15(21)12-3-1-2-4-13(12)17/h1-8H,9,17H2,(H,19,20).
What are the key properties of 2-(N-(2-aminobenzoyl)-4-chloroanilino)acetic acid?
2-(N-(2-aminobenzoyl)-4-chloroanilino)acetic acid has a molecular weight of 304.73 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(2-aminobenzoyl)-4-chloroanilino)acetic acid is sourced from PubChem (CID 61214109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).