2-chloro-N-{[2-(cyclopentyloxy)phenyl]methyl}acetamide

• ChemBase ID: 260627
• Molecular Formular: C14H18ClNO2
• Molecular Mass: 267.75122
• Monoisotopic Mass: 267.1026065
• SMILES: c1(c(CNC(=O)CCl)cccc1)OC1CCCC1
• Canonical SMILES: ClCC(=O)NCc1ccccc1OC1CCCC1
• InChI: InChI=1S/C14H18ClNO2/c15-9-14(17)16-10-11-5-1-4-8-13(11)18-12-6-2-3-7-12/h1,4-5,8,12H,2-3,6-7,9-10H2,(H,16,17)
• InChIKey: YYGPGWMHRCJSDI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-{[2-(cyclopentyloxy)phenyl]methyl}acetamide
• IUPAC Traditional name: 2-chloro-N-{[2-(cyclopentyloxy)phenyl]methyl}acetamide
• Synonyms: 2-chloro-N-{[2-(cyclopentyloxy)phenyl]methyl}acetamide

Database IDs

• MDL Number: MFCD17976958
• PubChem SID: 164316537
• PubChem CID: 50988899

CALCULATED PROPERTIES

• Acid pKa: 13.0686455
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.6522353
• LogD (pH = 7.4): 2.6522346
• Log P: 2.6522353
• Molar Refractivity: 71.6048 cm^3
• Polarizability: 28.043036 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.954

Product Information

• Purity: 95%