5-chloropentanamide

• ChemBase ID: 264312
• Molecular Formular: C5H10ClNO
• Molecular Mass: 135.592
• Monoisotopic Mass: 135.04509163
• SMILES: C(=O)(N)CCCCCl
• Canonical SMILES: ClCCCCC(=O)N
• InChI: InChI=1S/C5H10ClNO/c6-4-2-1-3-5(7)8/h1-4H2,(H2,7,8)
• InChIKey: DCPLYSRLHGHNMY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-chloropentanamide
• IUPAC Traditional name: 5-chloropentanamide
• Synonyms: 5-chloropentanamide

Database IDs

• MDL Number: MFCD11192757
• PubChem SID: 164320222
• PubChem CID: 19047178

CALCULATED PROPERTIES

• Acid pKa: 15.60082
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.47729772
• LogD (pH = 7.4): 0.47729808
• Log P: 0.47729808
• Molar Refractivity: 33.2745 cm^3
• Polarizability: 13.022998 Å^3
• Polar Surface Area: 43.09 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 76 - 78°C
• Hydrophobicity(logP): 0.186

Product Information

• Purity: 95%