N-[1-(4-chlorophenyl)cyclobutyl]oxolane-3-carboxamide

• ChemBase ID: 617619
• Molecular Formular: C15H18ClNO2
• Molecular Mass: 279.76192
• Monoisotopic Mass: 279.1026065
• SMILES: C(=O)(NC1(c2ccc(cc2)Cl)CCC1)C1COCC1
• Canonical SMILES: O=C(C1COCC1)NC1(CCC1)c1ccc(cc1)Cl
• InChI: InChI=1S/C15H18ClNO2/c16-13-4-2-12(3-5-13)15(7-1-8-15)17-14(18)11-6-9-19-10-11/h2-5,11H,1,6-10H2,(H,17,18)
• InChIKey: UNESWCMHVZPKJR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(4-chlorophenyl)cyclobutyl]oxolane-3-carboxamide
• IUPAC Traditional name: N-[1-(4-chlorophenyl)cyclobutyl]oxolane-3-carboxamide
• Synonyms: N-[1-(4-chlorophenyl)cyclobutyl]tetrahydrofuran-3-carboxamide

CALCULATED PROPERTIES

JChem

• Log P: 2.488152
• Molar Refractivity: 74.4775 cm^3
• Polarizability: 29.215744 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• Acid pKa: 13.024453
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.488152
• LogD (pH = 7.4): 2.488151

供应商提供(Chembridge)

• Log P: 2.69
• LOG S: -3.54
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 3
• H Acceptors: 2
• H Donor: 1