ChemSpider 2D Image | N-[2-(3,4-Dichlorophenyl)-2-methylpropyl]-3-(4-fluorophenyl)-2-(5-methyl-1H-tetrazol-1-yl)propanamide | C21H22Cl2FN5O

N-[2-(3,4-Dichlorophenyl)-2-methylpropyl]-3-(4-fluorophenyl)-2-(5-methyl-1H-tetrazol-1-yl)propanamide

  • Molecular FormulaC21H22Cl2FN5O
  • Average mass450.337 Da
  • Monoisotopic mass449.118530 Da
  • ChemSpider ID31772043

More details:

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

1H-Tetrazole-1-acetamide, N-[2-(3,4-dichlorophenyl)-2-methylpropyl]-α-[(4-fluorophenyl)methyl]-5-methyl- [ACD/Index Name]
N-[2-(3,4-Dichlorophenyl)-2-methylpropyl]-3-(4-fluorophenyl)-2-(5-methyl-1H-tetrazol-1-yl)propanamide [ACD/IUPAC Name]
N-[2-(3,4-Dichlorophényl)-2-méthylpropyl]-3-(4-fluorophényl)-2-(5-méthyl-1H-tétrazol-1-yl)propanamide [French] [ACD/IUPAC Name]
N-[2-(3,4-Dichlorphenyl)-2-methylpropyl]-3-(4-fluorphenyl)-2-(5-methyl-1H-tetrazol-1-yl)propanamid [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 675.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.1±3.0 kJ/mol
Flash Point: 362.1±31.5 °C
Index of Refraction: 1.618
Molar Refractivity: 117.8±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.20
ACD/LogD (pH 5.5): 4.30
ACD/BCF (pH 5.5): 1101.64
ACD/KOC (pH 5.5): 5237.10
ACD/LogD (pH 7.4): 4.30
ACD/BCF (pH 7.4): 1101.66
ACD/KOC (pH 7.4): 5237.16
Polar Surface Area: 73 Å2
Polarizability: 46.7±0.5 10-24cm3
Surface Tension: 44.9±7.0 dyne/cm
Molar Volume: 336.1±7.0 cm3

Click to predict properties on the Chemicalize site


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