N-(2-chloroacetyl)-2-phenylacetamide

• ChemBase ID: 231382
• Molecular Formular: C10H10ClNO2
• Molecular Mass: 211.6449
• Monoisotopic Mass: 211.04000625
• SMILES: N(C(=O)Cc1ccccc1)C(=O)CCl
• Canonical SMILES: ClCC(=O)NC(=O)Cc1ccccc1
• InChI: InChI=1S/C10H10ClNO2/c11-7-10(14)12-9(13)6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,12,13,14)
• InChIKey: SLFPDCYXEHCGCK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-chloroacetyl)-2-phenylacetamide
• IUPAC Traditional name: N-(2-chloroacetyl)-2-phenylacetamide
• Synonyms: 2-Chloro-N-phenylacetyl-acetamide

Database IDs

• CAS Number: 4488-91-9
• MDL Number: MFCD03968069
• PubChem SID: 164287292
• PubChem CID: 3853256

CALCULATED PROPERTIES

• Acid pKa: 10.501806
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.3299993
• LogD (pH = 7.4): 1.3296641
• Log P: 1.3300036
• Molar Refractivity: 53.5069 cm^3
• Polarizability: 20.830288 Å^3
• Polar Surface Area: 46.17 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.513

Product Information

• Purity: 95%