2-chloro-N-cyclopropylpropanamide

• ChemBase ID: 233610
• Molecular Formular: C6H10ClNO
• Molecular Mass: 147.6027
• Monoisotopic Mass: 147.04509163
• SMILES: C(=O)(NC1CC1)C(Cl)C
• Canonical SMILES: CC(C(=O)NC1CC1)Cl
• InChI: InChI=1S/C6H10ClNO/c1-4(7)6(9)8-5-2-3-5/h4-5H,2-3H2,1H3,(H,8,9)
• InChIKey: BKYHBHCARKXKDN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-cyclopropylpropanamide
• IUPAC Traditional name: 2-chloro-N-cyclopropylpropanamide
• Synonyms: 2-chloro-N-cyclopropylpropanamide

Database IDs

• MDL Number: MFCD06335068
• PubChem SID: 164289520
• PubChem CID: 4520013

CALCULATED PROPERTIES

• Acid pKa: 12.923446
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.7650603
• LogD (pH = 7.4): 0.7650592
• Log P: 0.7650603
• Molar Refractivity: 35.8209 cm^3
• Polarizability: 14.142648 Å^3
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 68 - 70°C
• Hydrophobicity(logP): 0.418

Product Information

• Purity: 95%