N-(2-fluoroethyl)-4-(5-methylfuran-2-yl)benzamide

• ChemBase ID: 490391
• Molecular Formular: C14H14FNO2
• Molecular Mass: 247.2648632
• Monoisotopic Mass: 247.10085691
• SMILES: c1(oc(cc1)C)c1ccc(C(=O)NCCF)cc1
• Canonical SMILES: FCCNC(=O)c1ccc(cc1)c1ccc(o1)C
• InChI: InChI=1S/C14H14FNO2/c1-10-2-7-13(18-10)11-3-5-12(6-4-11)14(17)16-9-8-15/h2-7H,8-9H2,1H3,(H,16,17)
• InChIKey: PNITUNQZUNWNQV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-fluoroethyl)-4-(5-methylfuran-2-yl)benzamide
• IUPAC Traditional name: N-(2-fluoroethyl)-4-(5-methylfuran-2-yl)benzamide
• Synonyms: N-(2-fluoroethyl)-4-(5-methyl-2-furyl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.586002
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.155585
• LogD (pH = 7.4): 2.1555853
• Log P: 2.1555853
• Molar Refractivity: 67.3101 cm^3
• Polarizability: 26.102327 Å^3
• Polar Surface Area: 42.24 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 2.62
• LOG S: -3.24
• Polar Surface Area: 42.24 Å^2
• Rotatable Bonds: 4