ChemSpider 2D Image | MFCD00185931 | C33H46Cl2N2O3

MFCD00185931

  • Molecular FormulaC33H46Cl2N2O3
  • Average mass589.636 Da
  • Monoisotopic mass588.288574 Da
  • ChemSpider ID2345500

More details:






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

Benzenepropanamide, α-chloro-N-(2-chlorophenyl)-β-oxo-4-[(1-oxooctadecyl)amino]- [ACD/Index Name]
MFCD00185931
N-(4-{2-Chlor-3-[(2-chlorphenyl)amino]-3-oxopropanoyl}phenyl)octadecanamid [German] [ACD/IUPAC Name]
N-(4-{2-Chloro-3-[(2-chlorophenyl)amino]-3-oxopropanoyl}phenyl)octadecanamide [ACD/IUPAC Name]
N-(4-{2-Chloro-3-[(2-chlorophényl)amino]-3-oxopropanoyl}phényl)octadécanamide [French] [ACD/IUPAC Name]
N-{4-[2-chloro-3-(2-chloroanilino)-3-oxopropanoyl]phenyl}octadecanamide
α-CHLORO-N-(2-CHLOROPHENYL)-4-OCTADECAMIDO-β-OXOBENZENEPROPIONAMIDE

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

BAS 00061579 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 748.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.1±3.0 kJ/mol
Flash Point: 406.5±32.9 °C
Index of Refraction: 1.561
Molar Refractivity: 168.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 21
#Rule of 5 Violations: 2
ACD/LogP: 11.70
ACD/LogD (pH 5.5): 10.59
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 9.19
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 446643.47
Polar Surface Area: 75 Å2
Polarizability: 66.7±0.5 10-24cm3
Surface Tension: 44.8±3.0 dyne/cm
Molar Volume: 519.3±3.0 cm3

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