ChemSpider 2D Image | 1-{[1-(2-Chloro-5-nitrobenzoyl)-3-piperidinyl]methyl}-3-(3-fluorophenyl)urea | C20H20ClFN4O4

1-{[1-(2-Chloro-5-nitrobenzoyl)-3-piperidinyl]methyl}-3-(3-fluorophenyl)urea

  • Molecular FormulaC20H20ClFN4O4
  • Average mass434.849 Da
  • Monoisotopic mass434.115723 Da
  • ChemSpider ID31967381

More details:

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

1-{[1-(2-Chlor-5-nitrobenzoyl)-3-piperidinyl]methyl}-3-(3-fluorphenyl)harnstoff [German] [ACD/IUPAC Name]
1-{[1-(2-Chloro-5-nitrobenzoyl)-3-piperidinyl]methyl}-3-(3-fluorophenyl)urea [ACD/IUPAC Name]
1-{[1-(2-Chloro-5-nitrobenzoyl)-3-pipéridinyl]méthyl}-3-(3-fluorophényl)urée [French] [ACD/IUPAC Name]
Urea, N-[[1-(2-chloro-5-nitrobenzoyl)-3-piperidinyl]methyl]-N'-(3-fluorophenyl)- [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: 596.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.9±3.0 kJ/mol
Flash Point: 314.5±30.1 °C
Index of Refraction: 1.627
Molar Refractivity: 109.8±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.61
ACD/LogD (pH 5.5): 4.03
ACD/BCF (pH 5.5): 677.67
ACD/KOC (pH 5.5): 3698.66
ACD/LogD (pH 7.4): 4.03
ACD/BCF (pH 7.4): 677.66
ACD/KOC (pH 7.4): 3698.59
Polar Surface Area: 107 Å2
Polarizability: 43.5±0.5 10-24cm3
Surface Tension: 59.7±3.0 dyne/cm
Molar Volume: 309.9±3.0 cm3

Click to predict properties on the Chemicalize site


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