2-chloro-N-[2-(4-chlorophenyl)ethyl]acetamide

• ChemBase ID: 312457
• Molecular Formular: C10H11Cl2NO
• Molecular Mass: 232.10644
• Monoisotopic Mass: 231.02176934
• SMILES: C(=O)(NCCc1ccc(Cl)cc1)CCl
• Canonical SMILES: ClCC(=O)NCCc1ccc(cc1)Cl
• InChI: InChI=1S/C10H11Cl2NO/c11-7-10(14)13-6-5-8-1-3-9(12)4-2-8/h1-4H,5-7H2,(H,13,14)
• InChIKey: RVQXTGCQLPYVQI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 3840-66-2
• MDL Number: MFCD03966871

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.3479104
• LogD (pH = 7.4): 2.3479059
• Log P: 2.3479106
• Molar Refractivity: 58.2882 cm^3
• Polarizability: 22.627125 Å^3
• Polar Surface Area: 29.1 Å^2