2-chloro-N-methyl-N-(1-phenylethyl)acetamide

• ChemBase ID: 246694
• Molecular Formular: C11H14ClNO
• Molecular Mass: 211.68796
• Monoisotopic Mass: 211.07639175
• SMILES: N(C(=O)CCl)(C(c1ccccc1)C)C
• Canonical SMILES: ClCC(=O)N(C(c1ccccc1)C)C
• InChI: InChI=1S/C11H14ClNO/c1-9(13(2)11(14)8-12)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3
• InChIKey: QBURJKXCINMVEV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-methyl-N-(1-phenylethyl)acetamide
• IUPAC Traditional name: 2-chloro-N-methyl-N-(1-phenylethyl)acetamide
• Synonyms: 2-chloro-N-methyl-N-(1-phenylethyl)acetamide

Database IDs

• CAS Number: 40023-04-9
• MDL Number: MFCD06655341
• PubChem SID: 164302604
• PubChem CID: 4961965

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.0954556
• LogD (pH = 7.4): 2.0954556
• Log P: 2.0954556
• Molar Refractivity: 58.0439 cm^3
• Polarizability: 22.559837 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.888

Product Information

• Purity: 95%