ChemSpider 2D Image | (2E)-3-{6-[(1R)-1-(2,6-Dichloro-3-fluorophenyl)ethoxy]-3-quinolinyl}-N-methylacrylamide | C21H17Cl2FN2O2

(2E)-3-{6-[(1R)-1-(2,6-Dichloro-3-fluorophenyl)ethoxy]-3-quinolinyl}-N-methylacrylamide

  • Molecular FormulaC21H17Cl2FN2O2
  • Average mass419.276 Da
  • Monoisotopic mass418.065125 Da
  • ChemSpider ID25057318

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2E)-3-{6-[(1R)-1-(2,6-Dichlor-3-fluorphenyl)ethoxy]-3-chinolinyl}-N-methylacrylamid [German] [ACD/IUPAC Name]
(2E)-3-{6-[(1R)-1-(2,6-Dichloro-3-fluorophényl)éthoxy]-3-quinoléinyl}-N-méthylacrylamide [French] [ACD/IUPAC Name]
(2E)-3-{6-[(1R)-1-(2,6-Dichloro-3-fluorophenyl)ethoxy]-3-quinolinyl}-N-methylacrylamide [ACD/IUPAC Name]
(2e)-3-{6-[(1r)-1-(2,6-Dichloro-3-Fluorophenyl)ethoxy]quinolin-3-Yl}-N-Methylprop-2-Enamide
2-Propenamide, 3-[6-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-quinolinyl]-N-methyl-, (2E)- [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: 603.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.8±3.0 kJ/mol
Flash Point: 319.0±31.5 °C
Index of Refraction: 1.641
Molar Refractivity: 111.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.72
ACD/LogD (pH 5.5): 4.98
ACD/BCF (pH 5.5): 3580.94
ACD/KOC (pH 5.5): 12135.90
ACD/LogD (pH 7.4): 4.99
ACD/BCF (pH 7.4): 3623.38
ACD/KOC (pH 7.4): 12279.75
Polar Surface Area: 51 Å2
Polarizability: 44.4±0.5 10-24cm3
Surface Tension: 50.5±3.0 dyne/cm
Molar Volume: 310.3±3.0 cm3

Click to predict properties on the Chemicalize site


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