ChemSpider 2D Image | N-{[(4S,5S)-5-(Aminomethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl}-N'-(4-chloro-3-fluorophenyl)ethanediamide | C15H19ClFN3O4

N-{[(4S,5S)-5-(Aminomethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl}-N'-(4-chloro-3-fluorophenyl)ethanediamide

  • Molecular FormulaC15H19ClFN3O4
  • Average mass359.780 Da
  • Monoisotopic mass359.104797 Da
  • ChemSpider ID26377189
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

Ethanediamide, N1-[[(4S,5S)-5-(aminomethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-N2-(4-chloro-3-fluorophenyl)- [ACD/Index Name]
N-{[(4S,5S)-5-(Aminomethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl}-N'-(4-chlor-3-fluorphenyl)ethandiamid [German] [ACD/IUPAC Name]
N-{[(4S,5S)-5-(Aminomethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl}-N'-(4-chloro-3-fluorophenyl)ethanediamide [ACD/IUPAC Name]
N-{[(4S,5S)-5-(Aminométhyl)-2,2-diméthyl-1,3-dioxolan-4-yl]méthyl}-N'-(4-chloro-3-fluorophényl)éthanediamide [French] [ACD/IUPAC Name]
0M1

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.549
Molar Refractivity: 86.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.15
ACD/LogD (pH 5.5): -1.57
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.32
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.52
Polar Surface Area: 103 Å2
Polarizability: 34.2±0.5 10-24cm3
Surface Tension: 51.1±3.0 dyne/cm
Molar Volume: 271.1±3.0 cm3

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