3-chloro-N-cyclopentylpropanamide

• ChemBase ID: 60553
• Molecular Formular: C8H14ClNO
• Molecular Mass: 175.65586
• Monoisotopic Mass: 175.07639175
• SMILES: C(=O)(NC1CCCC1)CCCl
• Canonical SMILES: ClCCC(=O)NC1CCCC1
• InChI: InChI=1S/C8H14ClNO/c9-6-5-8(11)10-7-3-1-2-4-7/h7H,1-6H2,(H,10,11)
• InChIKey: BQKNSWFSFZEJCJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-chloro-N-cyclopentylpropanamide
• IUPAC Traditional name: 3-chloro-N-cyclopentylpropanamide
• Synonyms: 3-Chloro-N-cyclopentylpropanamide

Database IDs

• CAS Number: 349403-75-4
• MDL Number: MFCD02973947
• PubChem SID: 162026294
• PubChem CID: 4103610

CALCULATED PROPERTIES

• Acid pKa: 14.238433
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.3224461
• LogD (pH = 7.4): 1.3224461
• Log P: 1.3224461
• Molar Refractivity: 45.2284 cm^3
• Polarizability: 17.793528 Å^3
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.986

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%