ChemSpider 2D Image | N-{3-[2-(4-Fluorophenyl)ethoxy]benzyl}-N-(4-pyridinylmethyl)-4-pentenamide | C26H27FN2O2

N-{3-[2-(4-Fluorophenyl)ethoxy]benzyl}-N-(4-pyridinylmethyl)-4-pentenamide

  • Molecular FormulaC26H27FN2O2
  • Average mass418.503 Da
  • Monoisotopic mass418.205658 Da
  • ChemSpider ID22141950

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

4-Pentenamide, N-[[3-[2-(4-fluorophenyl)ethoxy]phenyl]methyl]-N-(4-pyridinylmethyl)- [ACD/Index Name]
N-{3-[2-(4-Fluorophenyl)ethoxy]benzyl}-N-(4-pyridinylmethyl)-4-pentenamide [ACD/IUPAC Name]
N-{3-[2-(4-Fluorophényl)éthoxy]benzyl}-N-(4-pyridinylméthyl)-4-penténamide [French] [ACD/IUPAC Name]
N-{3-[2-(4-Fluorphenyl)ethoxy]benzyl}-N-(4-pyridinylmethyl)-4-pentenamid [German] [ACD/IUPAC Name]
N-({3-[2-(4-FLUOROPHENYL)ETHOXY]PHENYL}METHYL)-N-(PYRIDIN-4-YLMETHYL)PENT-4-ENAMIDE
N-({3-[2-(4-FLUOROPHENYL)ETHOXY]PHENYL}METHYL)-N-[(PYRIDIN-4-YL)METHYL]PENT-4-ENAMIDE

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 591.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.2±3.0 kJ/mol
Flash Point: 311.4±30.1 °C
Index of Refraction: 1.579
Molar Refractivity: 120.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 4.39
ACD/LogD (pH 5.5): 4.19
ACD/BCF (pH 5.5): 829.05
ACD/KOC (pH 5.5): 3891.27
ACD/LogD (pH 7.4): 4.33
ACD/BCF (pH 7.4): 1146.60
ACD/KOC (pH 7.4): 5381.74
Polar Surface Area: 42 Å2
Polarizability: 47.9±0.5 10-24cm3
Surface Tension: 45.5±3.0 dyne/cm
Molar Volume: 363.6±3.0 cm3

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