2-chloro-N-cyclohexylacetamide

• ChemBase ID: 18949
• Molecular Formular: C8H14ClNO
• Molecular Mass: 175.65586
• Monoisotopic Mass: 175.07639175
• SMILES: C(=O)(NC1CCCCC1)CCl
• Canonical SMILES: ClCC(=O)NC1CCCCC1
• InChI: InChI=1S/C8H14ClNO/c9-6-8(11)10-7-4-2-1-3-5-7/h7H,1-6H2,(H,10,11)
• InChIKey: RLFIWYGMZQJEFO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-cyclohexylacetamide
• IUPAC Traditional name: 2-chloro-N-cyclohexylacetamide
• Synonyms: 2-chloro-N-cyclohexylacetamide; 2-Chloro-N-cyclohexyl-acetamide

Database IDs

• CAS Number: 23605-23-4
• MDL Number: MFCD00085678
• PubChem SID: 160982256
• PubChem CID: 222365

CALCULATED PROPERTIES

• Acid pKa: 13.277355
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.5300021
• LogD (pH = 7.4): 1.5300015
• Log P: 1.5300021
• Molar Refractivity: 45.13 cm^3
• Polarizability: 17.796093 Å^3
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false