2-chloro-N-(3-cyclohexylpropyl)acetamide

• ChemBase ID: 260681
• Molecular Formular: C11H20ClNO
• Molecular Mass: 217.7356
• Monoisotopic Mass: 217.12334195
• SMILES: C(=O)(NCCCC1CCCCC1)CCl
• Canonical SMILES: ClCC(=O)NCCCC1CCCCC1
• InChI: InChI=1S/C11H20ClNO/c12-9-11(14)13-8-4-7-10-5-2-1-3-6-10/h10H,1-9H2,(H,13,14)
• InChIKey: OAQDUVRLHXEEDP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-(3-cyclohexylpropyl)acetamide
• IUPAC Traditional name: 2-chloro-N-(3-cyclohexylpropyl)acetamide
• Synonyms: 2-chloro-N-(3-cyclohexylpropyl)acetamide

Database IDs

• MDL Number: MFCD18785438
• PubChem SID: 164316591
• PubChem CID: 302460

CALCULATED PROPERTIES

• Acid pKa: 13.68528
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.6561985
• LogD (pH = 7.4): 2.6561983
• Log P: 2.6561985
• Molar Refractivity: 59.1398 cm^3
• Polarizability: 23.297829 Å^3
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.243

Product Information

• Purity: 95%