3-chloro-N-[(4-fluorophenyl)methyl]propanamide

• ChemBase ID: 311921
• Molecular Formular: C10H11ClFNO
• Molecular Mass: 215.6518432
• Monoisotopic Mass: 215.05131988
• SMILES: C(=O)(NCc1ccc(F)cc1)CCCl
• Canonical SMILES: ClCCC(=O)NCc1ccc(cc1)F
• InChI: InChI=1S/C10H11ClFNO/c11-6-5-10(14)13-7-8-1-3-9(12)4-2-8/h1-4H,5-7H2,(H,13,14)
• InChIKey: FDFDRWIRFBXCTI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-chloro-N-[(4-fluorophenyl)methyl]propanamide
• IUPAC Traditional name: 3-chloro-N-[(4-fluorophenyl)methyl]propanamide
• Synonyms: 3-chloro-N-(4-fluorobenzyl)propanamide

Database IDs

• CAS Number: 544440-95-1
• MDL Number: MFCD03378039

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.8349193
• LogD (pH = 7.4): 1.8349185
• Log P: 1.8349193
• Molar Refractivity: 53.6442 cm^3
• Polarizability: 20.444975 Å^3
• Polar Surface Area: 29.1 Å^2