ChemSpider 2D Image | N-(5-{3,4-Difluoro-2-[(2-fluoro-4-iodophenyl)amino]phenyl}-1,3,4-oxadiazol-2-yl)-1,2-ethanediamine | C16H13F3IN5O

N-(5-{3,4-Difluoro-2-[(2-fluoro-4-iodophenyl)amino]phenyl}-1,3,4-oxadiazol-2-yl)-1,2-ethanediamine

  • Molecular FormulaC16H13F3IN5O
  • Average mass475.207 Da
  • Monoisotopic mass475.011688 Da
  • ChemSpider ID24702195

More details:

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

1,2-Ethanediamine, N1-[5-[3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]phenyl]-1,3,4-oxadiazol-2-yl]- [ACD/Index Name]
N-(5-{3,4-Difluor-2-[(2-fluor-4-iodphenyl)amino]phenyl}-1,3,4-oxadiazol-2-yl)-1,2-ethandiamin [German] [ACD/IUPAC Name]
N-(5-{3,4-Difluoro-2-[(2-fluoro-4-iodophenyl)amino]phenyl}-1,3,4-oxadiazol-2-yl)-1,2-ethanediamine [ACD/IUPAC Name]
N-(5-{3,4-Difluoro-2-[(2-fluoro-4-iodophényl)amino]phényl}-1,3,4-oxadiazol-2-yl)-1,2-éthanediamine [French] [ACD/IUPAC Name]
N-(5-{3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]phenyl}-1,3,4-oxadiazol-2-yl)ethane-1,2-diamine
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL485945/
LUG
N-(2-aminoethyl)-5-{3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]phenyl}-1,3,4-oxadiazol-2-amine
N1-(5-{3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]phenyl}-1,3,4-oxadiazol-2-yl)ethane-1,2-diamine

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

Density: 1.8±0.1 g/cm3
Boiling Point: 472.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.6±3.0 kJ/mol
Flash Point: 239.8±31.5 °C
Index of Refraction: 1.675
Molar Refractivity: 99.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 6.74
ACD/LogD (pH 5.5): 1.47
ACD/BCF (pH 5.5): 1.58
ACD/KOC (pH 5.5): 7.42
ACD/LogD (pH 7.4): 2.98
ACD/BCF (pH 7.4): 51.38
ACD/KOC (pH 7.4): 240.83
Polar Surface Area: 89 Å2
Polarizability: 39.4±0.5 10-24cm3
Surface Tension: 61.7±3.0 dyne/cm
Molar Volume: 264.3±3.0 cm3

Click to predict properties on the Chemicalize site


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