2-chloro-2-phenylacetamide

• ChemBase ID: 251961
• Molecular Formular: C8H8ClNO
• Molecular Mass: 169.60822
• Monoisotopic Mass: 169.02944156
• SMILES: C(=O)(C(c1ccccc1)Cl)N
• Canonical SMILES: ClC(c1ccccc1)C(=O)N
• InChI: InChI=1S/C8H8ClNO/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7H,(H2,10,11)
• InChIKey: FJEOFVLOXGUWBH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-2-phenylacetamide
• IUPAC Traditional name: 2-chloro-2-phenylacetamide
• Synonyms: 2-chloro-2-phenylacetamide

Database IDs

• MDL Number: MFCD06654371
• PubChem SID: 164307871
• PubChem CID: 344971

CALCULATED PROPERTIES

• Acid pKa: 13.468503
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.4434849
• LogD (pH = 7.4): 1.4434853
• Log P: 1.4434849
• Molar Refractivity: 43.577 cm^3
• Polarizability: 17.050592 Å^3
• Polar Surface Area: 43.09 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 119 - 121°C
• Hydrophobicity(logP): 1.267

Product Information

• Purity: 95%