5-chloro-N-cyclohexylpentanamide

• ChemBase ID: 164125
• Molecular Formular: C11H20ClNO
• Molecular Mass: 217.7356
• Monoisotopic Mass: 217.12334195
• SMILES: N(C1CCCCC1)C(=O)CCCCCl
• Canonical SMILES: ClCCCCC(=O)NC1CCCCC1
• InChI: InChI=1S/C11H20ClNO/c12-9-5-4-8-11(14)13-10-6-2-1-3-7-10/h10H,1-9H2,(H,13,14)
• InChIKey: OBOBOCFRZMDIDG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-chloro-N-cyclohexylpentanamide
• IUPAC Traditional name: 5-chloro-N-cyclohexylpentanamide
• Synonyms: 5-Chloro-N-cyclohexyl-valeramide; 5-Chloro-N-cyclohexylvaleramide; N-Cyclohexyl-5-chloropentanamide; 5-Chloro-N-cyclohexylpentanamide; N-CYCLOHEXYL-5-CHLOROVALERAMIDE

Database IDs

• CAS Number: 15865-18-6
• PubChem SID: 162258260
• PubChem CID: 11672974

CALCULATED PROPERTIES

• Acid pKa: 15.39106
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.5002444
• LogD (pH = 7.4): 2.5002446
• Log P: 2.5002446
• Molar Refractivity: 59.1854 cm^3
• Polarizability: 23.295063 Å^3
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Off-white Solid

Product Information

• Purity: 98%