N-(4-aminophenyl)-4-chloro-N-methylbenzamide

• ChemBase ID: 262320
• Molecular Formular: C14H13ClN2O
• Molecular Mass: 260.71882
• Monoisotopic Mass: 260.07164073
• SMILES: C(=O)(N(c1ccc(N)cc1)C)c1ccc(cc1)Cl
• Canonical SMILES: Nc1ccc(cc1)N(C(=O)c1ccc(cc1)Cl)C
• InChI: InChI=1S/C14H13ClN2O/c1-17(13-8-6-12(16)7-9-13)14(18)10-2-4-11(15)5-3-10/h2-9H,16H2,1H3
• InChIKey: GAKYGEWSJFIGNZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-aminophenyl)-4-chloro-N-methylbenzamide
• IUPAC Traditional name: N-(4-aminophenyl)-4-chloro-N-methylbenzamide
• Synonyms: N-(4-aminophenyl)-4-chloro-N-methylbenzamide

Database IDs

• MDL Number: MFCD11184905
• PubChem SID: 164318230
• PubChem CID: 28894442

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.696006
• LogD (pH = 7.4): 2.7042098
• Log P: 2.7043154
• Molar Refractivity: 74.2126 cm^3
• Polarizability: 27.78193 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 152 - 154°C
• Hydrophobicity(logP): 1.938

Product Information

• Purity: 95%