2-chloro-2-(2-chlorophenyl)-N-[4-(trifluoromethyl)phenyl]acetamide

• ChemBase ID: 96060
• Molecular Formular: C15H10Cl2F3NO
• Molecular Mass: 348.1472096
• Monoisotopic Mass: 347.00915397
• SMILES: N(c1ccc(cc1)C(F)(F)F)C(=O)C(c1ccccc1Cl)Cl
• Canonical SMILES: O=C(C(c1ccccc1Cl)Cl)Nc1ccc(cc1)C(F)(F)F
• InChI: InChI=1S/C15H10Cl2F3NO/c16-12-4-2-1-3-11(12)13(17)14(22)21-10-7-5-9(6-8-10)15(18,19)20/h1-8,13H,(H,21,22)
• InChIKey: WYLHGBBULDRUQZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-2-(2-chlorophenyl)-N-[4-(trifluoromethyl)phenyl]acetamide
• IUPAC Traditional name: 2-chloro-2-(2-chlorophenyl)-N-[4-(trifluoromethyl)phenyl]acetamide
• Synonyms: N1-[4-(trifluoromethyl)phenyl]-2-chloro-2-(2-chlorophenyl)acetamide

Database IDs

• MDL Number: MFCD00124633
• PubChem SID: 162082709
• PubChem CID: 2780907

CALCULATED PROPERTIES

• Acid pKa: 13.114138
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 5.1666226
• LogD (pH = 7.4): 5.1666217
• Log P: 5.1666226
• Molar Refractivity: 80.8106 cm^3
• Polarizability: 29.701715 Å^3
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false