2-chloro-N-(3-chlorophenyl)-2-phenylacetamide

• ChemBase ID: 72431
• Molecular Formular: C14H11Cl2NO
• Molecular Mass: 280.14924
• Monoisotopic Mass: 279.02176934
• SMILES: C(=O)(Nc1cc(Cl)ccc1)C(c1ccccc1)Cl
• Canonical SMILES: Clc1cccc(c1)NC(=O)C(c1ccccc1)Cl
• InChI: InChI=1S/C14H11Cl2NO/c15-11-7-4-8-12(9-11)17-14(18)13(16)10-5-2-1-3-6-10/h1-9,13H,(H,17,18)
• InChIKey: XPEDFKOZRMEQGM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-(3-chlorophenyl)-2-phenylacetamide
• IUPAC Traditional name: 2-chloro-N-(3-chlorophenyl)-2-phenylacetamide
• Synonyms: 2-Chloro-N-(3-chlorophenyl)-2-phenylacetamide

Database IDs

• PubChem SID: 162104188
• PubChem CID: 5122758

CALCULATED PROPERTIES

• Acid pKa: 12.886916
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 4.288774
• LogD (pH = 7.4): 4.2887726
• Log P: 4.288774
• Molar Refractivity: 74.8369 cm^3
• Polarizability: 28.492878 Å^3
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT