ChemSpider 2D Image | 5-Bromo-N-[(2S)-2,3-dihydroxypropoxy]-3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]benzamide | C16H13BrF3IN2O4

5-Bromo-N-[(2S)-2,3-dihydroxypropoxy]-3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]benzamide

  • Molecular FormulaC16H13BrF3IN2O4
  • Average mass561.089 Da
  • Monoisotopic mass559.905518 Da
  • ChemSpider ID395304

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

5-Brom-N-[(2S)-2,3-dihydroxypropoxy]-3,4-difluor-2-[(2-fluor-4-iodphenyl)amino]benzamid [German] [ACD/IUPAC Name]
5-Bromo-N-[(2S)-2,3-dihydroxypropoxy]-3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]benzamide [ACD/IUPAC Name]
5-Bromo-N-[(2S)-2,3-dihydroxypropoxy]-3,4-difluoro-2-[(2-fluoro-4-iodophényl)amino]benzamide [French] [ACD/IUPAC Name]
Benzamide, 5-bromo-N-[(2S)-2,3-dihydroxypropoxy]-3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]- [ACD/Index Name]
5-Bromo-N-(2,3-dihydroxypropoxy)-3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]benzamide [ACD/IUPAC Name]
BBM

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

Density: 2.0±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.660
Molar Refractivity: 103.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 7.43
ACD/LogD (pH 5.5): 4.80
ACD/BCF (pH 5.5): 2619.82
ACD/KOC (pH 5.5): 9736.31
ACD/LogD (pH 7.4): 4.80
ACD/BCF (pH 7.4): 2619.82
ACD/KOC (pH 7.4): 9736.30
Polar Surface Area: 91 Å2
Polarizability: 41.2±0.5 10-24cm3
Surface Tension: 62.5±3.0 dyne/cm
Molar Volume: 281.5±3.0 cm3

Click to predict properties on the Chemicalize site


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