ChemSpider 2D Image | 5-Bromo-N-[[(2R)-1-ethyl-2-pyrrolidinyl]methyl]-2,3-dimethoxybenzamide | C16H23BrN2O3

5-Bromo-N-[[(2R)-1-ethyl-2-pyrrolidinyl]methyl]-2,3-dimethoxybenzamide

  • Molecular FormulaC16H23BrN2O3
  • Average mass371.269 Da
  • Monoisotopic mass370.089203 Da
  • ChemSpider ID28941724
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

107188-75-0 [RN]
5-Brom-N-{[(2R)-1-ethyl-2-pyrrolidinyl]methyl}-2,3-dimethoxybenzamid [German] [ACD/IUPAC Name]
5-Bromo-N-[[(2R)-1-ethyl-2-pyrrolidinyl]methyl]-2,3-dimethoxybenzamide
5-Bromo-N-{[(2R)-1-ethyl-2-pyrrolidinyl]methyl}-2,3-dimethoxybenzamide [ACD/IUPAC Name]
5-Bromo-N-{[(2R)-1-éthyl-2-pyrrolidinyl]méthyl}-2,3-diméthoxybenzamide [French] [ACD/IUPAC Name]
Benzamide, 5-bromo-N-[[(2R)-1-ethyl-2-pyrrolidinyl]methyl]-2,3-dimethoxy- [ACD/Index Name]
10.1021/jm00170a040

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 419.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.3±3.0 kJ/mol
Flash Point: 207.3±28.7 °C
Index of Refraction: 1.541
Molar Refractivity: 90.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.39
ACD/LogD (pH 5.5): -0.61
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.58
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 7.37
Polar Surface Area: 51 Å2
Polarizability: 35.8±0.5 10-24cm3
Surface Tension: 39.6±3.0 dyne/cm
Molar Volume: 287.3±3.0 cm3

Click to predict properties on the Chemicalize site






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