2-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-phenylacetamide

• ChemBase ID: 229395
• Molecular Formular: C15H10Cl2F3NO
• Molecular Mass: 348.1472096
• Monoisotopic Mass: 347.00915397
• SMILES: c1(C(F)(F)F)c(ccc(NC(=O)C(c2ccccc2)Cl)c1)Cl
• Canonical SMILES: O=C(C(c1ccccc1)Cl)Nc1ccc(c(c1)C(F)(F)F)Cl
• InChI: InChI=1S/C15H10Cl2F3NO/c16-12-7-6-10(8-11(12)15(18,19)20)21-14(22)13(17)9-4-2-1-3-5-9/h1-8,13H,(H,21,22)
• InChIKey: IUOGCLQISALOPW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-phenylacetamide
• IUPAC Traditional name: 2-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-phenylacetamide
• Synonyms: 2-Chloro-N-(4-chloro-3-trifluoromethyl-phenyl)-2-phenyl-acetamide

Database IDs

• MDL Number: MFCD03970398
• PubChem SID: 164285305
• PubChem CID: 5082270

CALCULATED PROPERTIES

• Acid pKa: 12.947708
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 5.1666226
• LogD (pH = 7.4): 5.166621
• Log P: 5.1666226
• Molar Refractivity: 80.8106 cm^3
• Polarizability: 29.709755 Å^3
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Hydrophobicity(logP): 5.449

Product Information

• Purity: 95%