2-chloro-N-cyclopentylacetamide

• ChemBase ID: 26971
• Molecular Formular: C7H12ClNO
• Molecular Mass: 161.62928
• Monoisotopic Mass: 161.06074169
• SMILES: C(=O)(NC1CCCC1)CCl
• Canonical SMILES: ClCC(=O)NC1CCCC1
• InChI: InChI=1S/C7H12ClNO/c8-5-7(10)9-6-3-1-2-4-6/h6H,1-5H2,(H,9,10)
• InChIKey: SQWLIYWNXLKVGA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-cyclopentylacetamide
• IUPAC Traditional name: 2-chloro-N-cyclopentylacetamide
• Synonyms: 2-Chloro-N-cyclopentylacetamide

Database IDs

• CAS Number: 125674-23-9
• MDL Number: MFCD00297016
• PubChem SID: 160990278
• PubChem CID: 1518777

CALCULATED PROPERTIES

• Acid pKa: 13.144651
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.0854334
• LogD (pH = 7.4): 1.0854328
• Log P: 1.0854334
• Molar Refractivity: 40.529 cm^3
• Polarizability: 15.967067 Å^3
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 74 - 76°C
• Hydrophobicity(logP): 1.007

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%