2-[(3-chlorophenyl)amino]benzamide

• ChemBase ID: 294082
• Molecular Formular: C13H11ClN2O
• Molecular Mass: 246.69224
• Monoisotopic Mass: 246.05599066
• SMILES: O=C(N)c1ccccc1Nc1cccc(Cl)c1
• Canonical SMILES: Clc1cccc(c1)Nc1ccccc1C(=O)N
• InChI: InChI=1S/C13H11ClN2O/c14-9-4-3-5-10(8-9)16-12-7-2-1-6-11(12)13(15)17/h1-8,16H,(H2,15,17)
• InChIKey: BMOKTGIGLSDTMZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(3-chlorophenyl)amino]benzamide
• IUPAC Traditional name: 2-[(3-chlorophenyl)amino]benzamide
• Synonyms: 2-((3-Chlorophenyl)amino)benzamide

Database IDs

• CAS Number: 13625-33-7
• PubChem SID: 180679613
• PubChem CID: 901931

CALCULATED PROPERTIES

• Acid pKa: 14.685836
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 4.167856
• LogD (pH = 7.4): 4.1678567
• Log P: 4.1678567
• Molar Refractivity: 68.4274 cm^3
• Polarizability: 25.75677 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%