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

• ChemBase ID: 260673
• Molecular Formular: C14H17ClFNO
• Molecular Mass: 269.7422832
• Monoisotopic Mass: 269.09827007
• SMILES: N(C(c1ccc(cc1)F)C1CCCC1)C(=O)CCl
• Canonical SMILES: ClCC(=O)NC(c1ccc(cc1)F)C1CCCC1
• InChI: InChI=1S/C14H17ClFNO/c15-9-13(18)17-14(10-3-1-2-4-10)11-5-7-12(16)8-6-11/h5-8,10,14H,1-4,9H2,(H,17,18)
• InChIKey: BROLIEPIVUUNFQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD18483138
• PubChem SID: 164316583
• PubChem CID: 54592493

CALCULATED PROPERTIES

• Acid pKa: 11.116736
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.3273873
• LogD (pH = 7.4): 3.3273144
• Log P: 3.3273883
• Molar Refractivity: 69.759 cm^3
• Polarizability: 27.048264 Å^3
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.577

Product Information

• Purity: 95%