ChemSpider 2D Image | N-[3-({[2-(4-Methoxyphenyl)ethyl]carbamoyl}amino)propyl]-3,5-dinitrobenzamide | C20H23N5O7

N-[3-({[2-(4-Methoxyphenyl)ethyl]carbamoyl}amino)propyl]-3,5-dinitrobenzamide

  • Molecular FormulaC20H23N5O7
  • Average mass445.426 Da
  • Monoisotopic mass445.159760 Da
  • ChemSpider ID59589679

More details:

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

Benzamide, N-[3-[[[[2-(4-methoxyphenyl)ethyl]amino]carbonyl]amino]propyl]-3,5-dinitro- [ACD/Index Name]
N-[3-({[2-(4-Methoxyphenyl)ethyl]carbamoyl}amino)propyl]-3,5-dinitrobenzamid [German] [ACD/IUPAC Name]
N-[3-({[2-(4-Methoxyphenyl)ethyl]carbamoyl}amino)propyl]-3,5-dinitrobenzamide [ACD/IUPAC Name]
N-[3-({[2-(4-Méthoxyphényl)éthyl]carbamoyl}amino)propyl]-3,5-dinitrobenzamide [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 704.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.0±3.0 kJ/mol
Flash Point: 379.6±32.9 °C
Index of Refraction: 1.598
Molar Refractivity: 114.5±0.3 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 2.02
ACD/LogD (pH 5.5): 2.33
ACD/BCF (pH 5.5): 34.60
ACD/KOC (pH 5.5): 439.79
ACD/LogD (pH 7.4): 2.33
ACD/BCF (pH 7.4): 34.60
ACD/KOC (pH 7.4): 439.79
Polar Surface Area: 171 Å2
Polarizability: 45.4±0.5 10-24cm3
Surface Tension: 56.6±3.0 dyne/cm
Molar Volume: 335.5±3.0 cm3

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