2-chloro-N-(2,6-dichlorophenyl)acetamide

• ChemBase ID: 26956
• Molecular Formular: C8H6Cl3NO
• Molecular Mass: 238.49834
• Monoisotopic Mass: 236.95149686
• SMILES: c1(NC(=O)CCl)c(Cl)cccc1Cl
• Canonical SMILES: ClCC(=O)Nc1c(Cl)cccc1Cl
• InChI: InChI=1S/C8H6Cl3NO/c9-4-7(13)12-8-5(10)2-1-3-6(8)11/h1-3H,4H2,(H,12,13)
• InChIKey: CZAFLRAOEDDMCS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-(2,6-dichlorophenyl)acetamide
• IUPAC Traditional name: 2-chloro-N-(2,6-dichlorophenyl)acetamide
• Synonyms: 2-Chloro-N-(2,6-dichlorophenyl)acetamide

Database IDs

• MDL Number: MFCD00044773
• PubChem SID: 160990263
• PubChem CID: 77206

CALCULATED PROPERTIES

• Acid pKa: 11.354926
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.9563887
• LogD (pH = 7.4): 2.9563437
• Log P: 2.9563894
• Molar Refractivity: 55.2838 cm^3
• Polarizability: 20.942179 Å^3
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false