ChemSpider 2D Image | N-{3-[(1-Methoxy-2-propanyl)oxy]benzyl}-N-(4-pyridinylmethyl)-2-[3-(trifluoromethyl)phenyl]acetamide | C26H27F3N2O3

N-{3-[(1-Methoxy-2-propanyl)oxy]benzyl}-N-(4-pyridinylmethyl)-2-[3-(trifluoromethyl)phenyl]acetamide

  • Molecular FormulaC26H27F3N2O3
  • Average mass472.499 Da
  • Monoisotopic mass472.197388 Da
  • ChemSpider ID22197967

More details:

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

Benzeneacetamide, N-[[3-(2-methoxy-1-methylethoxy)phenyl]methyl]-N-(4-pyridinylmethyl)-3-(trifluoromethyl)- [ACD/Index Name]
N-{3-[(1-Methoxy-2-propanyl)oxy]benzyl}-N-(4-pyridinylmethyl)-2-[3-(trifluormethyl)phenyl]acetamid [German] [ACD/IUPAC Name]
N-{3-[(1-Methoxy-2-propanyl)oxy]benzyl}-N-(4-pyridinylmethyl)-2-[3-(trifluoromethyl)phenyl]acetamide [ACD/IUPAC Name]
N-{3-[(1-Méthoxy-2-propanyl)oxy]benzyl}-N-(4-pyridinylméthyl)-2-[3-(trifluorométhyl)phényl]acétamide [French] [ACD/IUPAC Name]
N-[3-(2-methoxy-1-methylethoxy)benzyl]-N-(4-pyridinylmethyl)-2-[3-(trifluoromethyl)phenyl]acetamide

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

Density: 1.2±0.1 g/cm3
Boiling Point: 598.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.1±3.0 kJ/mol
Flash Point: 315.4±30.1 °C
Index of Refraction: 1.547
Molar Refractivity: 123.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 3.54
ACD/LogD (pH 5.5): 5.09
ACD/BCF (pH 5.5): 4024.00
ACD/KOC (pH 5.5): 12130.67
ACD/LogD (pH 7.4): 5.22
ACD/BCF (pH 7.4): 5446.58
ACD/KOC (pH 7.4): 16419.18
Polar Surface Area: 52 Å2
Polarizability: 48.8±0.5 10-24cm3
Surface Tension: 41.2±3.0 dyne/cm
Molar Volume: 388.0±3.0 cm3

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