2,2-dichloro-N-phenylacetamide

• ChemBase ID: 106707
• Molecular Formular: C8H7Cl2NO
• Molecular Mass: 204.05328
• Monoisotopic Mass: 202.99046921
• SMILES: ClC(Cl)C(=O)Nc1ccccc1
• Canonical SMILES: ClC(C(=O)Nc1ccccc1)Cl
• InChI: InChI=1S/C8H7Cl2NO/c9-7(10)8(12)11-6-4-2-1-3-5-6/h1-5,7H,(H,11,12)
• InChIKey: KJSVAEGLTPBKAA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2-dichloro-N-phenylacetamide
• IUPAC Traditional name: 2,2-dichloro-N-phenylacetamide
• Synonyms: 3,4-DICHLOROACETANILIDE

Database IDs

• CAS Number: 31620-87-8
• PubChem SID: 162088784
• PubChem CID: 35857

CALCULATED PROPERTIES

• Acid pKa: 12.60791
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.4924846
• LogD (pH = 7.4): 2.492482
• Log P: 2.4924846
• Molar Refractivity: 50.8968 cm^3
• Polarizability: 18.933737 Å^3
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• RTECS: AE1925000

DETAILS

MP Biomedicals - 05201100

MP Biomedicals Rare Chemical collection