2-chloro-N-cyclopentylpropanamide

• ChemBase ID: 37719
• Molecular Formular: C8H14ClNO
• Molecular Mass: 175.65586
• Monoisotopic Mass: 175.07639175
• SMILES: C(=O)(NC1CCCC1)C(Cl)C
• Canonical SMILES: CC(C(=O)NC1CCCC1)Cl
• InChI: InChI=1S/C8H14ClNO/c1-6(9)8(11)10-7-4-2-3-5-7/h6-7H,2-5H2,1H3,(H,10,11)
• InChIKey: YVDWCPUGVCYCNP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 565180-19-0
• MDL Number: MFCD03988563
• PubChem SID: 161001026
• PubChem CID: 4529952

CALCULATED PROPERTIES

• Acid pKa: 13.218739
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.6541977
• LogD (pH = 7.4): 1.6541971
• Log P: 1.6541977
• Molar Refractivity: 45.0229 cm^3
• Polarizability: 17.797024 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