2-(2-chloroacetamido)-N-cyclopentylbenzamide

• ChemBase ID: 236355
• Molecular Formular: C14H17ClN2O2
• Molecular Mass: 280.74998
• Monoisotopic Mass: 280.09785547
• SMILES: C(=O)(c1c(NC(=O)CCl)cccc1)NC1CCCC1
• Canonical SMILES: ClCC(=O)Nc1ccccc1C(=O)NC1CCCC1
• InChI: InChI=1S/C14H17ClN2O2/c15-9-13(18)17-12-8-4-3-7-11(12)14(19)16-10-5-1-2-6-10/h3-4,7-8,10H,1-2,5-6,9H2,(H,16,19)(H,17,18)
• InChIKey: RWADYHOXASQDQL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-chloroacetamido)-N-cyclopentylbenzamide
• IUPAC Traditional name: 2-(2-chloroacetamido)-N-cyclopentylbenzamide
• Synonyms: 2-[(chloroacetyl)amino]-N-cyclopentylbenzamide

Database IDs

• MDL Number: MFCD06358020
• PubChem SID: 164292265
• PubChem CID: 2513313

CALCULATED PROPERTIES

• Acid pKa: 12.131532
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.8273175
• LogD (pH = 7.4): 2.8273106
• Log P: 2.8273182
• Molar Refractivity: 76.0625 cm^3
• Polarizability: 28.376114 Å^3
• Polar Surface Area: 58.2 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.559

Product Information

• Purity: 95%