2-chloro-N-(2-cyclohexylethyl)acetamide

• ChemBase ID: 260600
• Molecular Formular: C10H18ClNO
• Molecular Mass: 203.70902
• Monoisotopic Mass: 203.10769188
• SMILES: C(=O)(NCCC1CCCCC1)CCl
• Canonical SMILES: ClCC(=O)NCCC1CCCCC1
• InChI: InChI=1S/C10H18ClNO/c11-8-10(13)12-7-6-9-4-2-1-3-5-9/h9H,1-8H2,(H,12,13)
• InChIKey: WTKWENBWTLUUOQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-(2-cyclohexylethyl)acetamide
• IUPAC Traditional name: 2-chloro-N-(2-cyclohexylethyl)acetamide
• Synonyms: 2-chloro-N-(2-cyclohexylethyl)acetamide

Database IDs

• MDL Number: MFCD12798903
• PubChem SID: 164316510
• PubChem CID: 51889850

CALCULATED PROPERTIES

• Acid pKa: 13.603657
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.2116296
• LogD (pH = 7.4): 2.2116296
• Log P: 2.2116299
• Molar Refractivity: 54.5388 cm^3
• Polarizability: 21.462008 Å^3
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.714

Product Information

• Purity: 95%