ChemSpider 2D Image | (3R)-3-{[(1S)-1-(4-Chloro-2-fluoro-3-phenoxyphenyl)propyl]amino}butanamide | C19H22ClFN2O2

(3R)-3-{[(1S)-1-(4-Chloro-2-fluoro-3-phenoxyphenyl)propyl]amino}butanamide

  • Molecular FormulaC19H22ClFN2O2
  • Average mass364.842 Da
  • Monoisotopic mass364.135376 Da
  • ChemSpider ID34949451
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(3R)-3-{[(1S)-1-(4-Chlor-2-fluor-3-phenoxyphenyl)propyl]amino}butanamid [German] [ACD/IUPAC Name]
(3R)-3-{[(1S)-1-(4-Chloro-2-fluoro-3-phenoxyphenyl)propyl]amino}butanamide [ACD/IUPAC Name]
(3R)-3-{[(1S)-1-(4-Chloro-2-fluoro-3-phénoxyphényl)propyl]amino}butanamide [French] [ACD/IUPAC Name]
Butanamide, 3-[[(1S)-1-(4-chloro-2-fluoro-3-phenoxyphenyl)propyl]amino]-, (3R)- [ACD/Index Name]
(3R)-3-{[(1S)-1-(4-chloro-2-fluoro-3-phenoxyphenyl)propyl]amino}butanamide, 7
1401839-29-9 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 476.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.0±3.0 kJ/mol
Flash Point: 241.9±28.7 °C
Index of Refraction: 1.558
Molar Refractivity: 97.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.69
ACD/LogD (pH 5.5): 1.74
ACD/BCF (pH 5.5): 4.44
ACD/KOC (pH 5.5): 30.21
ACD/LogD (pH 7.4): 3.30
ACD/BCF (pH 7.4): 162.25
ACD/KOC (pH 7.4): 1104.14
Polar Surface Area: 64 Å2
Polarizability: 38.6±0.5 10-24cm3
Surface Tension: 43.2±3.0 dyne/cm
Molar Volume: 302.3±3.0 cm3

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