ChemSpider 2D Image | N-[2-(4-Methylphenoxy)-5-(trifluoromethyl)phenyl]-1-[2-nitro-4-(trifluoromethyl)phenyl]-4-piperidinecarboxamide | C27H23F6N3O4

N-[2-(4-Methylphenoxy)-5-(trifluoromethyl)phenyl]-1-[2-nitro-4-(trifluoromethyl)phenyl]-4-piperidinecarboxamide

  • Molecular FormulaC27H23F6N3O4
  • Average mass567.480 Da
  • Monoisotopic mass567.159302 Da
  • ChemSpider ID3874679

More details:

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

4-Piperidinecarboxamide, N-[2-(4-methylphenoxy)-5-(trifluoromethyl)phenyl]-1-[2-nitro-4-(trifluoromethyl)phenyl]- [ACD/Index Name]
N-[2-(4-Methylphenoxy)-5-(trifluormethyl)phenyl]-1-[2-nitro-4-(trifluormethyl)phenyl]-4-piperidincarboxamid [German] [ACD/IUPAC Name]
N-[2-(4-Methylphenoxy)-5-(trifluoromethyl)phenyl]-1-[2-nitro-4-(trifluoromethyl)phenyl]-4-piperidinecarboxamide [ACD/IUPAC Name]
N-[2-(4-Méthylphénoxy)-5-(trifluorométhyl)phényl]-1-[2-nitro-4-(trifluorométhyl)phényl]-4-pipéridinecarboxamide [French] [ACD/IUPAC Name]
1-(2-Nitro-4-trifluoromethyl-phenyl)-piperidine-4-carboxylic acid (2-p-tolyloxy-5-trifluoromethyl-phenyl)-amide
N-[2-(4-methylphenoxy)-5-(trifluoromethyl)phenyl]{1-[2-nitro-4-(trifluoromethyl)phenyl](4-piperidyl)}carboxamide
N-[2-(4-methylphenoxy)-5-(trifluoromethyl)phenyl]-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide

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

A2248/0094651 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 624.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.4±3.0 kJ/mol
Flash Point: 331.2±31.5 °C
Index of Refraction: 1.567
Molar Refractivity: 132.6±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 7.91
ACD/LogD (pH 5.5): 6.77
ACD/BCF (pH 5.5): 82207.65
ACD/KOC (pH 5.5): 114728.90
ACD/LogD (pH 7.4): 6.77
ACD/BCF (pH 7.4): 82208.19
ACD/KOC (pH 7.4): 114729.66
Polar Surface Area: 87 Å2
Polarizability: 52.6±0.5 10-24cm3
Surface Tension: 46.1±3.0 dyne/cm
Molar Volume: 406.0±3.0 cm3

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