N-(2-aminophenyl)-4-chlorobenzamide

• ChemBase ID: 255366
• Molecular Formular: C13H11ClN2O
• Molecular Mass: 246.69224
• Monoisotopic Mass: 246.05599066
• SMILES: C(=O)(Nc1c(N)cccc1)c1ccc(cc1)Cl
• Canonical SMILES: Clc1ccc(cc1)C(=O)Nc1ccccc1N
• InChI: InChI=1S/C13H11ClN2O/c14-10-7-5-9(6-8-10)13(17)16-12-4-2-1-3-11(12)15/h1-8H,15H2,(H,16,17)
• InChIKey: PRZZSWCUIWZUHO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-aminophenyl)-4-chlorobenzamide
• IUPAC Traditional name: N-(2-aminophenyl)-4-chlorobenzamide
• Synonyms: N-(2-aminophenyl)-4-chlorobenzamide

Database IDs

• CAS Number: 103517-58-4
• MDL Number: MFCD00447041
• PubChem SID: 164311276
• PubChem CID: 3898488

CALCULATED PROPERTIES

• Acid pKa: 12.02094
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.8385954
• LogD (pH = 7.4): 2.8402185
• Log P: 2.8402493
• Molar Refractivity: 71.0967 cm^3
• Polarizability: 25.944433 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 183 - 185°C
• Hydrophobicity(logP): 2.338

Product Information

• Purity: 95%