2-chloro-N-cyclohexyl-N-[(4-fluorophenyl)methyl]acetamide

• ChemBase ID: 250212
• Molecular Formular: C15H19ClFNO
• Molecular Mass: 283.7688632
• Monoisotopic Mass: 283.11392013
• SMILES: N(C(=O)CCl)(Cc1ccc(F)cc1)C1CCCCC1
• Canonical SMILES: ClCC(=O)N(C1CCCCC1)Cc1ccc(cc1)F
• InChI: InChI=1S/C15H19ClFNO/c16-10-15(19)18(14-4-2-1-3-5-14)11-12-6-8-13(17)9-7-12/h6-9,14H,1-5,10-11H2
• InChIKey: NAQMTZNBMPZGQY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-cyclohexyl-N-[(4-fluorophenyl)methyl]acetamide
• IUPAC Traditional name: 2-chloro-N-cyclohexyl-N-[(4-fluorophenyl)methyl]acetamide
• Synonyms: 2-chloro-N-cyclohexyl-N-(4-fluorobenzyl)acetamide

Database IDs

• MDL Number: MFCD07345663
• PubChem SID: 164306122
• PubChem CID: 7130806

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.6208532
• LogD (pH = 7.4): 3.6208532
• Log P: 3.6208532
• Molar Refractivity: 74.8557 cm^3
• Polarizability: 28.881071 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 73 - 75°C
• Hydrophobicity(logP): 3.753

Product Information

• Purity: 95%