ChemSpider 2D Image | N-(4-Bromo-2-methylphenyl)-2-({6-methyl-2-[4-(trifluoromethyl)phenyl]-4-pyrimidinyl}oxy)acetamide | C21H17BrF3N3O2

N-(4-Bromo-2-methylphenyl)-2-({6-methyl-2-[4-(trifluoromethyl)phenyl]-4-pyrimidinyl}oxy)acetamide

  • Molecular FormulaC21H17BrF3N3O2
  • Average mass480.278 Da
  • Monoisotopic mass479.045624 Da
  • ChemSpider ID29119275

More details:

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

Acetamide, N-(4-bromo-2-methylphenyl)-2-[[6-methyl-2-[4-(trifluoromethyl)phenyl]-4-pyrimidinyl]oxy]- [ACD/Index Name]
N-(4-Brom-2-methylphenyl)-2-({6-methyl-2-[4-(trifluormethyl)phenyl]-4-pyrimidinyl}oxy)acetamid [German] [ACD/IUPAC Name]
N-(4-Bromo-2-methylphenyl)-2-({6-methyl-2-[4-(trifluoromethyl)phenyl]-4-pyrimidinyl}oxy)acetamide [ACD/IUPAC Name]
N-(4-Bromo-2-méthylphényl)-2-({6-méthyl-2-[4-(trifluorométhyl)phényl]-4-pyrimidinyl}oxy)acétamide [French] [ACD/IUPAC Name]
5-(4-Ethoxyphenyl)-3-[3-(1-ethyl-1H-pyrazol-5-yl)phenyl]-1,2,4-oxadiazole [ACD/IUPAC Name]
N-(4-BROMO-2-METHYLPHENYL)-2-({6-METHYL-2-[4-(TRIFLUOROMETHYL)PHENYL]PYRIMIDIN-4-YL}OXY)ACETAMIDE

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

Density: 1.5±0.1 g/cm3
Boiling Point: 518.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.1±3.0 kJ/mol
Flash Point: 267.6±30.1 °C
Index of Refraction: 1.592
Molar Refractivity: 109.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.92
ACD/LogD (pH 5.5): 5.00
ACD/BCF (pH 5.5): 3697.47
ACD/KOC (pH 5.5): 12458.57
ACD/LogD (pH 7.4): 5.00
ACD/BCF (pH 7.4): 3698.09
ACD/KOC (pH 7.4): 12460.64
Polar Surface Area: 64 Å2
Polarizability: 43.6±0.5 10-24cm3
Surface Tension: 46.3±3.0 dyne/cm
Molar Volume: 324.9±3.0 cm3

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