N-(3-amino-4-chlorophenyl)-2-(4-chlorophenyl)acetamide

• ChemBase ID: 23165
• Molecular Formular: C14H12Cl2N2O
• Molecular Mass: 295.16388
• Monoisotopic Mass: 294.03266837
• SMILES: C(=O)(Nc1cc(c(cc1)Cl)N)Cc1ccc(Cl)cc1
• Canonical SMILES: O=C(Nc1ccc(c(c1)N)Cl)Cc1ccc(cc1)Cl
• InChI: InChI=1S/C14H12Cl2N2O/c15-10-3-1-9(2-4-10)7-14(19)18-11-5-6-12(16)13(17)8-11/h1-6,8H,7,17H2,(H,18,19)
• InChIKey: RUIVLTRVHLKVTJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-amino-4-chlorophenyl)-2-(4-chlorophenyl)acetamide
• IUPAC Traditional name: N-(3-amino-4-chlorophenyl)-2-(4-chlorophenyl)acetamide
• Synonyms: N-(3-Amino-4-chlorophenyl)-2-(4-chlorophenyl)-acetamide

Database IDs

• MDL Number: MFCD09939840
• PubChem SID: 160986472
• PubChem CID: 24700806

CALCULATED PROPERTIES

• Acid pKa: 13.865353
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 3.424102
• LogD (pH = 7.4): 3.4244547
• Log P: 3.4244595
• Molar Refractivity: 79.9529 cm^3
• Polarizability: 29.686678 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false