ChemSpider 2D Image | N-(2,3-Dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-N~3~-[2-nitro-4-(trifluoromethyl)phenyl]-beta-alaninamide | C20H20F3N3O5

N-(2,3-Dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-N3-[2-nitro-4-(trifluoromethyl)phenyl]-β-alaninamide

  • Molecular FormulaC20H20F3N3O5
  • Average mass439.385 Da
  • Monoisotopic mass439.135498 Da
  • ChemSpider ID22356324

More details:

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

N-(2,3-Dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-N3-[2-nitro-4-(trifluormethyl)phenyl]-β-alaninamid [German] [ACD/IUPAC Name]
N-(2,3-Dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-N3-[2-nitro-4-(trifluoromethyl)phenyl]-β-alaninamide [ACD/IUPAC Name]
N-(2,3-Dihydro-1,4-benzodioxin-6-ylméthyl)-N-méthyl-N3-[2-nitro-4-(trifluorométhyl)phényl]-β-alaninamide [French] [ACD/IUPAC Name]
Propanamide, N-[(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-N-methyl-3-[[2-nitro-4-(trifluoromethyl)phenyl]amino]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 580.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.8±3.0 kJ/mol
Flash Point: 304.7±30.1 °C
Index of Refraction: 1.582
Molar Refractivity: 104.9±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.77
ACD/LogD (pH 5.5): 3.72
ACD/BCF (pH 5.5): 397.53
ACD/KOC (pH 5.5): 2524.83
ACD/LogD (pH 7.4): 3.72
ACD/BCF (pH 7.4): 397.53
ACD/KOC (pH 7.4): 2524.84
Polar Surface Area: 97 Å2
Polarizability: 41.6±0.5 10-24cm3
Surface Tension: 50.2±3.0 dyne/cm
Molar Volume: 314.3±3.0 cm3

Click to predict properties on the Chemicalize site


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