N-cyclopropyl-N-({4-[2-(4-fluorophenyl)ethoxy]phenyl}methyl)furan-2-carboxamide

• ChemBase ID: 588648
• Molecular Formular: C23H22FNO3
• Molecular Mass: 379.4240832
• Monoisotopic Mass: 379.15837179
• SMILES: C(=O)(N(C1CC1)Cc1ccc(cc1)OCCc1ccc(F)cc1)c1occc1
• Canonical SMILES: Fc1ccc(cc1)CCOc1ccc(cc1)CN(C(=O)c1ccco1)C1CC1
• InChI: InChI=1S/C23H22FNO3/c24-19-7-3-17(4-8-19)13-15-27-21-11-5-18(6-12-21)16-25(20-9-10-20)23(26)22-2-1-14-28-22/h1-8,11-12,14,20H,9-10,13,15-16H2
• InChIKey: YZQWHZHMKDPUGL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-N-({4-[2-(4-fluorophenyl)ethoxy]phenyl}methyl)furan-2-carboxamide
• IUPAC Traditional name: N-cyclopropyl-N-({4-[2-(4-fluorophenyl)ethoxy]phenyl}methyl)furan-2-carboxamide
• Synonyms: N-cyclopropyl-N-{4-[2-(4-fluorophenyl)ethoxy]benzyl}-2-furamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.5196877
• LogD (pH = 7.4): 4.5196877
• Log P: 4.5196877
• Molar Refractivity: 105.1917 cm^3
• Polarizability: 39.797897 Å^3
• Polar Surface Area: 42.68 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 4.48
• LOG S: -6.48
• Polar Surface Area: 42.68 Å^2
• Rotatable Bonds: 8