2-chloro-N-[(4-fluorophenyl)(phenyl)methyl]-N-methylacetamide

• ChemBase ID: 254017
• Molecular Formular: C16H15ClFNO
• Molecular Mass: 291.7478032
• Monoisotopic Mass: 291.08262001
• SMILES: N(C(c1ccc(cc1)F)c1ccccc1)(C(=O)CCl)C
• Canonical SMILES: ClCC(=O)N(C(c1ccccc1)c1ccc(cc1)F)C
• InChI: InChI=1S/C16H15ClFNO/c1-19(15(20)11-17)16(12-5-3-2-4-6-12)13-7-9-14(18)10-8-13/h2-10,16H,11H2,1H3
• InChIKey: HXGYPNUCNZMVOJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-[(4-fluorophenyl)(phenyl)methyl]-N-methylacetamide
• IUPAC Traditional name: 2-chloro-N-[(4-fluorophenyl)(phenyl)methyl]-N-methylacetamide
• Synonyms: 2-chloro-N-[(4-fluorophenyl)(phenyl)methyl]-N-methylacetamide

Database IDs

• MDL Number: MFCD19686206
• PubChem SID: 164309927
• PubChem CID: 54592439

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.6058228
• LogD (pH = 7.4): 3.6058228
• Log P: 3.6058228
• Molar Refractivity: 78.1243 cm^3
• Polarizability: 29.97101 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.07

Product Information

• Purity: 95%