ChemSpider 2D Image | 1-{[1-(3-Bromophenyl)-3-pyrrolidinyl]methyl}-3-[1-(2-chlorophenyl)ethyl]urea | C20H23BrClN3O

1-{[1-(3-Bromophenyl)-3-pyrrolidinyl]methyl}-3-[1-(2-chlorophenyl)ethyl]urea

  • Molecular FormulaC20H23BrClN3O
  • Average mass436.773 Da
  • Monoisotopic mass435.071289 Da
  • ChemSpider ID31900611

More details:

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

1-{[1-(3-Bromophenyl)-3-pyrrolidinyl]methyl}-3-[1-(2-chlorophenyl)ethyl]urea [ACD/IUPAC Name]
1-{[1-(3-Bromophényl)-3-pyrrolidinyl]méthyl}-3-[1-(2-chlorophényl)éthyl]urée [French] [ACD/IUPAC Name]
1-{[1-(3-Bromphenyl)-3-pyrrolidinyl]methyl}-3-[1-(2-chlorphenyl)ethyl]harnstoff [German] [ACD/IUPAC Name]
Urea, N-[[1-(3-bromophenyl)-3-pyrrolidinyl]methyl]-N'-[1-(2-chlorophenyl)ethyl]- [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: 609.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.5±3.0 kJ/mol
Flash Point: 322.2±28.7 °C
Index of Refraction: 1.602
Molar Refractivity: 109.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.75
ACD/LogD (pH 5.5): 4.84
ACD/BCF (pH 5.5): 2808.55
ACD/KOC (pH 5.5): 10201.20
ACD/LogD (pH 7.4): 4.85
ACD/BCF (pH 7.4): 2839.39
ACD/KOC (pH 7.4): 10313.23
Polar Surface Area: 44 Å2
Polarizability: 43.3±0.5 10-24cm3
Surface Tension: 48.3±3.0 dyne/cm
Molar Volume: 318.9±3.0 cm3

Click to predict properties on the Chemicalize site


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