ChemSpider 2D Image | N-(4-{2-[(3,4-Dimethoxybenzyl)amino]-2-oxoethyl}-2-nitrophenyl)-2,2,2-trifluoroacetamide | C19H18F3N3O6

N-(4-{2-[(3,4-Dimethoxybenzyl)amino]-2-oxoethyl}-2-nitrophenyl)-2,2,2-trifluoroacetamide

  • Molecular FormulaC19H18F3N3O6
  • Average mass441.358 Da
  • Monoisotopic mass441.114777 Da
  • ChemSpider ID67385129

More details:

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

Benzeneacetamide, N-[(3,4-dimethoxyphenyl)methyl]-3-nitro-4-[(2,2,2-trifluoroacetyl)amino]- [ACD/Index Name]
N-(4-{2-[(3,4-Dimethoxybenzyl)amino]-2-oxoethyl}-2-nitrophenyl)-2,2,2-trifluoracetamid [German] [ACD/IUPAC Name]
N-(4-{2-[(3,4-Dimethoxybenzyl)amino]-2-oxoethyl}-2-nitrophenyl)-2,2,2-trifluoroacetamide [ACD/IUPAC Name]
N-(4-{2-[(3,4-Diméthoxybenzyl)amino]-2-oxoéthyl}-2-nitrophényl)-2,2,2-trifluoroacétamide [French] [ACD/IUPAC 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: 650.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.8±3.0 kJ/mol
Flash Point: 347.1±31.5 °C
Index of Refraction: 1.569
Molar Refractivity: 103.2±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 2.01
ACD/LogD (pH 5.5): 2.54
ACD/BCF (pH 5.5): 50.45
ACD/KOC (pH 5.5): 575.97
ACD/LogD (pH 7.4): 2.51
ACD/BCF (pH 7.4): 46.79
ACD/KOC (pH 7.4): 534.23
Polar Surface Area: 122 Å2
Polarizability: 40.9±0.5 10-24cm3
Surface Tension: 47.2±3.0 dyne/cm
Molar Volume: 314.7±3.0 cm3

Click to predict properties on the Chemicalize site


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