5-(2-chlorophenyl)-N-[1-(pyridin-2-yl)propan-2-yl]furan-2-carboxamide

• ChemBase ID: 464797
• Molecular Formular: C19H17ClN2O2
• Molecular Mass: 340.80348
• Monoisotopic Mass: 340.09785547
• SMILES: c1(oc(C(=O)NC(Cc2ncccc2)C)cc1)c1c(Cl)cccc1
• Canonical SMILES: CC(NC(=O)c1ccc(o1)c1ccccc1Cl)Cc1ccccn1
• InChI: InChI=1S/C19H17ClN2O2/c1-13(12-14-6-4-5-11-21-14)22-19(23)18-10-9-17(24-18)15-7-2-3-8-16(15)20/h2-11,13H,12H2,1H3,(H,22,23)
• InChIKey: LKUQWQPUVZNGJP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(2-chlorophenyl)-N-[1-(pyridin-2-yl)propan-2-yl]furan-2-carboxamide
• IUPAC Traditional name: 5-(2-chlorophenyl)-N-[1-(pyridin-2-yl)propan-2-yl]furan-2-carboxamide
• Synonyms: 5-(2-chlorophenyl)-N-[1-methyl-2-(2-pyridinyl)ethyl]-2-furamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.581322
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.477661
• LogD (pH = 7.4): 3.5203655
• Log P: 3.5209403
• Molar Refractivity: 93.2942 cm^3
• Polarizability: 37.079624 Å^3
• Polar Surface Area: 55.13 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.37
• LOG S: -3.26
• Polar Surface Area: 55.13 Å^2
• Rotatable Bonds: 5