2-chloro-N-(2-acetamidophenyl)acetamide

• ChemBase ID: 311703
• Molecular Formular: C10H11ClN2O2
• Molecular Mass: 226.65954
• Monoisotopic Mass: 226.05090528
• SMILES: N(c1c(NC(=O)CCl)cccc1)C(=O)C
• Canonical SMILES: ClCC(=O)Nc1ccccc1NC(=O)C
• InChI: InChI=1S/C10H11ClN2O2/c1-7(14)12-8-4-2-3-5-9(8)13-10(15)6-11/h2-5H,6H2,1H3,(H,12,14)(H,13,15)
• InChIKey: UPLFYYXYUGHITR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-(2-acetamidophenyl)acetamide
• IUPAC Traditional name: 2-chloro-N-(2-acetamidophenyl)acetamide
• Synonyms: N-[2-(acetylamino)phenyl]-2-chloroacetamide

Database IDs

• CAS Number: 36819-74-6
• MDL Number: MFCD00495689

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.9860103
• LogD (pH = 7.4): 0.9860053
• Log P: 0.9860104
• Molar Refractivity: 60.5372 cm^3
• Polarizability: 21.966013 Å^3
• Polar Surface Area: 58.2 Å^2