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

• ChemBase ID: 260704
• Molecular Formular: C15H20ClNO
• Molecular Mass: 265.7784
• Monoisotopic Mass: 265.12334195
• SMILES: N(C(c1ccccc1)C1CCCCC1)C(=O)CCl
• Canonical SMILES: ClCC(=O)NC(c1ccccc1)C1CCCCC1
• InChI: InChI=1S/C15H20ClNO/c16-11-14(18)17-15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1,3-4,7-8,13,15H,2,5-6,9-11H2,(H,17,18)
• InChIKey: IITQKRYHVBAQKP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD18785440
• PubChem SID: 164316614
• PubChem CID: 14208385

CALCULATED PROPERTIES

• Acid pKa: 12.084241
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.6292548
• LogD (pH = 7.4): 3.629247
• Log P: 3.629255
• Molar Refractivity: 74.1436 cm^3
• Polarizability: 29.194292 Å^3
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.993

Product Information

• Purity: 95%