N-(2-chlorophenyl)-2-(methylamino)benzamide

• ChemBase ID: 232598
• Molecular Formular: C14H13ClN2O
• Molecular Mass: 260.71882
• Monoisotopic Mass: 260.07164073
• SMILES: C(=O)(c1c(NC)cccc1)Nc1c(Cl)cccc1
• Canonical SMILES: CNc1ccccc1C(=O)Nc1ccccc1Cl
• InChI: InChI=1S/C14H13ClN2O/c1-16-12-8-4-2-6-10(12)14(18)17-13-9-5-3-7-11(13)15/h2-9,16H,1H3,(H,17,18)
• InChIKey: IGHZHLIRWFWIEK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-chlorophenyl)-2-(methylamino)benzamide
• IUPAC Traditional name: N-(2-chlorophenyl)-2-(methylamino)benzamide
• Synonyms: N-(2-chlorophenyl)-2-(methylamino)benzamide

Database IDs

• MDL Number: MFCD01196819
• PubChem SID: 164288508
• PubChem CID: 288565

CALCULATED PROPERTIES

• Acid pKa: 11.006473
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 3.7915525
• LogD (pH = 7.4): 3.7918463
• Log P: 3.7919533
• Molar Refractivity: 76.5901 cm^3
• Polarizability: 27.792965 Å^3
• Polar Surface Area: 41.13 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.015

Product Information

• Purity: 95%