2-chloro-N-[cyclopentyl(phenyl)methyl]acetamide

• ChemBase ID: 260685
• Molecular Formular: C14H18ClNO
• Molecular Mass: 251.75182
• Monoisotopic Mass: 251.10769188
• SMILES: N(C(c1ccccc1)C1CCCC1)C(=O)CCl
• Canonical SMILES: ClCC(=O)NC(c1ccccc1)C1CCCC1
• InChI: InChI=1S/C14H18ClNO/c15-10-13(17)16-14(12-8-4-5-9-12)11-6-2-1-3-7-11/h1-3,6-7,12,14H,4-5,8-10H2,(H,16,17)
• InChIKey: ZBPDWWZMWVJDOX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD18483141
• PubChem SID: 164316595
• PubChem CID: 54592496

CALCULATED PROPERTIES

• Acid pKa: 12.015958
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.1846862
• LogD (pH = 7.4): 3.1846771
• Log P: 3.1846864
• Molar Refractivity: 69.5426 cm^3
• Polarizability: 27.353466 Å^3
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.434

Product Information

• Purity: 95%