ChemSpider 2D Image | N-{(3R,4S)-1-[(2S)-2-(4-Bromophenyl)-2-hydroxyethyl]-3-methyl-4-piperidinyl}-N-phenylacrylamide | C23H27BrN2O2

N-{(3R,4S)-1-[(2S)-2-(4-Bromophenyl)-2-hydroxyethyl]-3-methyl-4-piperidinyl}-N-phenylacrylamide

  • Molecular FormulaC23H27BrN2O2
  • Average mass443.377 Da
  • Monoisotopic mass442.125580 Da
  • ChemSpider ID21107426

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

2-Propenamide, N-[(3R,4S)-1-[(2S)-2-(4-bromophenyl)-2-hydroxyethyl]-3-methyl-4-piperidinyl]-N-phenyl- [ACD/Index Name]
N-{(3R,4S)-1-[(2S)-2-(4-Bromophenyl)-2-hydroxyethyl]-3-methyl-4-piperidinyl}-N-phenylacrylamide [ACD/IUPAC Name]
N-{(3R,4S)-1-[(2S)-2-(4-Bromophényl)-2-hydroxyéthyl]-3-méthyl-4-pipéridinyl}-N-phénylacrylamide [French] [ACD/IUPAC Name]
N-{(3R,4S)-1-[(2S)-2-(4-Bromphenyl)-2-hydroxyethyl]-3-methyl-4-piperidinyl}-N-phenylacrylamid [German] [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: 547.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 87.0±3.0 kJ/mol
Flash Point: 284.8±30.1 °C
Index of Refraction: 1.609
Molar Refractivity: 117.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.77
ACD/LogD (pH 5.5): 2.16
ACD/BCF (pH 5.5): 8.91
ACD/KOC (pH 5.5): 47.52
ACD/LogD (pH 7.4): 3.75
ACD/BCF (pH 7.4): 350.70
ACD/KOC (pH 7.4): 1870.32
Polar Surface Area: 44 Å2
Polarizability: 46.5±0.5 10-24cm3
Surface Tension: 49.2±3.0 dyne/cm
Molar Volume: 338.9±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement