2-(4-chloro-2-formylphenoxy)-N-cyclopentylacetamide

• ChemBase ID: 279730
• Molecular Formular: C14H16ClNO3
• Molecular Mass: 281.73474
• Monoisotopic Mass: 281.08187106
• SMILES: c1(c(OCC(=O)NC2CCCC2)ccc(c1)Cl)C=O
• Canonical SMILES: O=Cc1cc(Cl)ccc1OCC(=O)NC1CCCC1
• InChI: InChI=1S/C14H16ClNO3/c15-11-5-6-13(10(7-11)8-17)19-9-14(18)16-12-3-1-2-4-12/h5-8,12H,1-4,9H2,(H,16,18)
• InChIKey: DOTVXLOIXADEPF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-chloro-2-formylphenoxy)-N-cyclopentylacetamide
• IUPAC Traditional name: 2-(4-chloro-2-formylphenoxy)-N-cyclopentylacetamide
• Synonyms: 2-(4-chloro-2-formylphenoxy)-N-cyclopentylacetamide

Database IDs

• MDL Number: MFCD08444833
• PubChem SID: 164335640
• PubChem CID: 16228269

CALCULATED PROPERTIES

• Rotatable Bonds: 5
• Lipinski's Rule of Five: true
• Acid pKa: 13.929796
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.3815403
• LogD (pH = 7.4): 2.38154
• Log P: 2.3815403
• Molar Refractivity: 73.1267 cm^3
• Polarizability: 28.176079 Å^3
• Polar Surface Area: 55.4 Å^2

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.763

Product Information

• Purity: 95%