2-chloro-N-ethyl-N-[1-(4-fluorophenyl)ethyl]acetamide

• ChemBase ID: 260651
• Molecular Formular: C12H15ClFNO
• Molecular Mass: 243.7050032
• Monoisotopic Mass: 243.08262001
• SMILES: N(C(=O)CCl)(C(c1ccc(cc1)F)C)CC
• Canonical SMILES: CCN(C(c1ccc(cc1)F)C)C(=O)CCl
• InChI: InChI=1S/C12H15ClFNO/c1-3-15(12(16)8-13)9(2)10-4-6-11(14)7-5-10/h4-7,9H,3,8H2,1-2H3
• InChIKey: WUXJUKPVASWMNM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-ethyl-N-[1-(4-fluorophenyl)ethyl]acetamide
• IUPAC Traditional name: 2-chloro-N-ethyl-N-[1-(4-fluorophenyl)ethyl]acetamide
• Synonyms: 2-chloro-N-ethyl-N-[1-(4-fluorophenyl)ethyl]acetamide

Database IDs

• MDL Number: MFCD12762681
• PubChem SID: 164316561
• PubChem CID: 54592487

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.5949657
• LogD (pH = 7.4): 2.5949657
• Log P: 2.5949657
• Molar Refractivity: 63.0089 cm^3
• Polarizability: 24.101473 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.56

Product Information

• Purity: 95%