2-chloro-N-ethyl-N-(4-fluorophenyl)acetamide

• ChemBase ID: 249265
• Molecular Formular: C10H11ClFNO
• Molecular Mass: 215.6518432
• Monoisotopic Mass: 215.05131988
• SMILES: N(C(=O)CCl)(c1ccc(cc1)F)CC
• Canonical SMILES: CCN(c1ccc(cc1)F)C(=O)CCl
• InChI: InChI=1S/C10H11ClFNO/c1-2-13(10(14)7-11)9-5-3-8(12)4-6-9/h3-6H,2,7H2,1H3
• InChIKey: FVMCZMNCHWFXQS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD06655655
• PubChem SID: 164305175
• PubChem CID: 4962225

CALCULATED PROPERTIES

• Acid pKa: 16.794754
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.111876
• LogD (pH = 7.4): 2.111876
• Log P: 2.111876
• Molar Refractivity: 53.7551 cm^3
• Polarizability: 20.438164 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.532

Product Information

• Purity: 95%