2-chloro-N-methyl-2-phenylacetamide

• ChemBase ID: 116874
• Molecular Formular: C9H10ClNO
• Molecular Mass: 183.6348
• Monoisotopic Mass: 183.04509163
• SMILES: C(=O)(C(c1ccccc1)Cl)NC
• Canonical SMILES: CNC(=O)C(c1ccccc1)Cl
• InChI: InChI=1S/C9H10ClNO/c1-11-9(12)8(10)7-5-3-2-4-6-7/h2-6,8H,1H3,(H,11,12)
• InChIKey: PCQWDPPCRNFWOZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD11101512
• PubChem SID: 162102347
• PubChem CID: 10986954

CALCULATED PROPERTIES

• Acid pKa: 13.165555
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.667161
• LogD (pH = 7.4): 1.6671603
• Log P: 1.667161
• Molar Refractivity: 48.4737 cm^3
• Polarizability: 18.885712 Å^3
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 1.88

Product Information

• Purity: 95+%