ChemSpider 2D Image | 1-(4-Aminobenzyl)-3-{2-[(2R)-2-(2-bromophenyl)-1-pyrrolidinyl]-2-oxoethyl}urea | C20H23BrN4O2

1-(4-Aminobenzyl)-3-{2-[(2R)-2-(2-bromophenyl)-1-pyrrolidinyl]-2-oxoethyl}urea

  • Molecular FormulaC20H23BrN4O2
  • Average mass431.326 Da
  • Monoisotopic mass430.100433 Da
  • ChemSpider ID35035597

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-(4-Aminobenzyl)-3-{2-[(2R)-2-(2-bromophenyl)-1-pyrrolidinyl]-2-oxoethyl}urea [ACD/IUPAC Name]
1-(4-Aminobenzyl)-3-{2-[(2R)-2-(2-bromophényl)-1-pyrrolidinyl]-2-oxoéthyl}urée [French] [ACD/IUPAC Name]
1-(4-Aminobenzyl)-3-{2-[(2r)-2-(2-Bromophenyl)pyrrolidin-1-Yl]-2-Oxoethyl}urea
1-(4-Aminobenzyl)-3-{2-[(2R)-2-(2-bromphenyl)-1-pyrrolidinyl]-2-oxoethyl}harnstoff [German] [ACD/IUPAC Name]
Urea, N-[(4-aminophenyl)methyl]-N'-[2-[(2R)-2-(2-bromophenyl)-1-pyrrolidinyl]-2-oxoethyl]- [ACD/Index Name]
117630-05-4 [RN]
Chelon Silver

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

728 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 687.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.8±3.0 kJ/mol
Flash Point: 369.4±31.5 °C
Index of Refraction: 1.638
Molar Refractivity: 108.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.96
ACD/LogD (pH 5.5): 2.09
ACD/BCF (pH 5.5): 22.49
ACD/KOC (pH 5.5): 317.78
ACD/LogD (pH 7.4): 2.12
ACD/BCF (pH 7.4): 23.83
ACD/KOC (pH 7.4): 336.74
Polar Surface Area: 87 Å2
Polarizability: 43.0±0.5 10-24cm3
Surface Tension: 59.4±3.0 dyne/cm
Molar Volume: 302.1±3.0 cm3

Click to predict properties on the Chemicalize site


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