2-chloro-N-(4-chloro-3-methylphenyl)acetamide

• ChemBase ID: 312680
• Molecular Formular: C9H9Cl2NO
• Molecular Mass: 218.07986
• Monoisotopic Mass: 217.00611927
• SMILES: C(=O)(Nc1cc(c(cc1)Cl)C)CCl
• Canonical SMILES: ClCC(=O)Nc1ccc(c(c1)C)Cl
• InChI: InChI=1S/C9H9Cl2NO/c1-6-4-7(2-3-8(6)11)12-9(13)5-10/h2-4H,5H2,1H3,(H,12,13)
• InChIKey: LKFPDBUGLNXOIP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-(4-chloro-3-methylphenyl)acetamide
• IUPAC Traditional name: 2-chloro-N-(4-chloro-3-methylphenyl)acetamide
• Synonyms: 2-chloro-N-(4-chloro-3-methylphenyl)acetamide

Database IDs

• CAS Number: 99585-90-7
• MDL Number: MFCD04328454

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.865766
• LogD (pH = 7.4): 2.8657656
• Log P: 2.865766
• Molar Refractivity: 55.5202 cm^3
• Polarizability: 20.713295 Å^3
• Polar Surface Area: 29.1 Å^2