N-(2-chloroethyl)cyclopentanecarboxamide

• ChemBase ID: 237646
• Molecular Formular: C8H14ClNO
• Molecular Mass: 175.65586
• Monoisotopic Mass: 175.07639175
• SMILES: C(=O)(C1CCCC1)NCCCl
• Canonical SMILES: ClCCNC(=O)C1CCCC1
• InChI: InChI=1S/C8H14ClNO/c9-5-6-10-8(11)7-3-1-2-4-7/h7H,1-6H2,(H,10,11)
• InChIKey: UTOHSYDJWJCESY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-chloroethyl)cyclopentanecarboxamide
• IUPAC Traditional name: N-(2-chloroethyl)cyclopentanecarboxamide
• Synonyms: N-(2-chloroethyl)cyclopentanecarboxamide

Database IDs

• MDL Number: MFCD14613677
• PubChem SID: 164293556
• PubChem CID: 61286853

CALCULATED PROPERTIES

• Acid pKa: 14.7755575
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.5268102
• LogD (pH = 7.4): 1.5268111
• Log P: 1.5268111
• Molar Refractivity: 45.3071 cm^3
• Polarizability: 17.793764 Å^3
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 72 - 74°C
• Hydrophobicity(logP): 0.986

Product Information

• Purity: 95%