ChemSpider 2D Image | 4-[(5R)-5-(3,5-Dichlorophenyl)-4,5-dihydro-5-(trifluoromethyl)-3-isoxazolyl]-2-methyl-N-[2-oxo-2-[(2,2,2-trifluoroethyl)amino]ethyl]benzamide | C22H17Cl2F6N3O3

4-[(5R)-5-(3,5-Dichlorophenyl)-4,5-dihydro-5-(trifluoromethyl)-3-isoxazolyl]-2-methyl-N-[2-oxo-2-[(2,2,2-trifluoroethyl)amino]ethyl]benzamide

  • Molecular FormulaC22H17Cl2F6N3O3
  • Average mass556.285 Da
  • Monoisotopic mass555.055115 Da
  • ChemSpider ID30790738

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1122022-03-0 [RN]
4-[(5R)-5-(3,5-Dichlorophenyl)-4,5-dihydro-5-(trifluoromethyl)-3-isoxazolyl]-2-methyl-N-[2-oxo-2-[(2,2,2-trifluoroethyl)amino]ethyl]benzamide
4-[(5R)-5-(3,5-Dichlorophenyl)-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-3-yl]-2-methyl-N-{2-oxo-2-[(2,2,2-trifluoroethyl)amino]ethyl}benzamide [ACD/IUPAC Name]
4-[(5R)-5-(3,5-Dichlorophényl)-5-(trifluorométhyl)-4,5-dihydro-1,2-oxazol-3-yl]-2-méthyl-N-{2-oxo-2-[(2,2,2-trifluoroéthyl)amino]éthyl}benzamide [French] [ACD/IUPAC Name]
4-[(5R)-5-(3,5-Dichlorphenyl)-5-(trifluormethyl)-4,5-dihydro-1,2-oxazol-3-yl]-2-methyl-N-{2-oxo-2-[(2,2,2-trifluorethyl)amino]ethyl}benzamid [German] [ACD/IUPAC Name]
Benzamide, 4-[(5R)-5-(3,5-dichlorophenyl)-4,5-dihydro-5-(trifluoromethyl)-3-isoxazolyl]-2-methyl-N-[2-oxo-2-[(2,2,2-trifluoroethyl)amino]ethyl]- [ACD/Index Name]
864731-61-3 [RN]
Fluralaner [INN] [USAN]
UNII-WSH8393RM5

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

GS7L1RUR5I [DBID]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.558
Molar Refractivity: 118.4±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 5.46
ACD/LogD (pH 5.5): 4.78
ACD/BCF (pH 5.5): 2542.95
ACD/KOC (pH 5.5): 9530.96
ACD/LogD (pH 7.4): 4.78
ACD/BCF (pH 7.4): 2542.92
ACD/KOC (pH 7.4): 9530.85
Polar Surface Area: 80 Å2
Polarizability: 46.9±0.5 10-24cm3
Surface Tension: 40.3±7.0 dyne/cm
Molar Volume: 367.1±7.0 cm3

Click to predict properties on the Chemicalize site


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