2-(cyclopentylamino)-N-(2,6-dichlorophenyl)acetamide

• ChemBase ID: 241725
• Molecular Formular: C13H16Cl2N2O
• Molecular Mass: 287.18494
• Monoisotopic Mass: 286.0639685
• SMILES: c1(NC(=O)CNC2CCCC2)c(Cl)cccc1Cl
• Canonical SMILES: O=C(Nc1c(Cl)cccc1Cl)CNC1CCCC1
• InChI: InChI=1S/C13H16Cl2N2O/c14-10-6-3-7-11(15)13(10)17-12(18)8-16-9-4-1-2-5-9/h3,6-7,9,16H,1-2,4-5,8H2,(H,17,18)
• InChIKey: BDRACAOSGRKWES-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(cyclopentylamino)-N-(2,6-dichlorophenyl)acetamide
• IUPAC Traditional name: 2-(cyclopentylamino)-N-(2,6-dichlorophenyl)acetamide
• Synonyms: 2-(cyclopentylamino)-N-(2,6-dichlorophenyl)acetamide

Database IDs

• MDL Number: MFCD12563291
• PubChem SID: 164297635
• PubChem CID: 43405301

CALCULATED PROPERTIES

• Acid pKa: 11.380389
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.33692634
• LogD (pH = 7.4): 1.9182227
• Log P: 3.282198
• Molar Refractivity: 75.0781 cm^3
• Polarizability: 29.001438 Å^3
• Polar Surface Area: 41.13 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.137

Product Information

• Purity: 95%