ChemSpider 2D Image | N-{(1E)-1-(1,3-Benzodioxol-5-yl)-3-[(3,5-dichlorophenyl)amino]-3-oxo-1-propen-2-yl}-2-chlorobenzamide | C23H15Cl3N2O4

N-{(1E)-1-(1,3-Benzodioxol-5-yl)-3-[(3,5-dichlorophenyl)amino]-3-oxo-1-propen-2-yl}-2-chlorobenzamide

  • Molecular FormulaC23H15Cl3N2O4
  • Average mass489.735 Da
  • Monoisotopic mass488.009735 Da
  • ChemSpider ID22932889

  • Double-bond stereo - Double-bond stereo

More details:

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

Benzamide, N-[(E)-2-(1,3-benzodioxol-5-yl)-1-[[(3,5-dichlorophenyl)amino]carbonyl]ethenyl]-2-chloro- [ACD/Index Name]
N-{(1E)-1-(1,3-Benzodioxol-5-yl)-3-[(3,5-dichlorophenyl)amino]-3-oxo-1-propen-2-yl}-2-chlorobenzamide [ACD/IUPAC Name]
N-{(1E)-1-(1,3-Benzodioxol-5-yl)-3-[(3,5-dichlorophényl)amino]-3-oxo-1-propén-2-yl}-2-chlorobenzamide [French] [ACD/IUPAC Name]
N-{(1E)-1-(1,3-Benzodioxol-5-yl)-3-[(3,5-dichlorphenyl)amino]-3-oxo-1-propen-2-yl}-2-chlorbenzamid [German] [ACD/IUPAC Name]
N-[(E)-1-(1,3-BENZODIOXOL-5-YL)-3-(3,5-DICHLOROANILINO)-3-OXOPROP-1-EN-2-YL]-2-CHLOROBENZAMIDE

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

Density: 1.5±0.1 g/cm3
Boiling Point: 746.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 108.8±3.0 kJ/mol
Flash Point: 405.3±32.9 °C
Index of Refraction: 1.703
Molar Refractivity: 125.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 6.12
ACD/LogD (pH 5.5): 5.43
ACD/BCF (pH 5.5): 7867.05
ACD/KOC (pH 5.5): 21389.55
ACD/LogD (pH 7.4): 5.43
ACD/BCF (pH 7.4): 7813.48
ACD/KOC (pH 7.4): 21243.90
Polar Surface Area: 77 Å2
Polarizability: 49.6±0.5 10-24cm3
Surface Tension: 65.1±3.0 dyne/cm
Molar Volume: 322.9±3.0 cm3

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