ChemSpider 2D Image | N-[4'-Acetamido-4-(4-methyl-1-piperazinyl)-3-biphenylyl]-5-amino-2-chloro-4-fluoro-3-methylbenzamide | C27H29ClFN5O2

N-[4'-Acetamido-4-(4-methyl-1-piperazinyl)-3-biphenylyl]-5-amino-2-chloro-4-fluoro-3-methylbenzamide

  • Molecular FormulaC27H29ClFN5O2
  • Average mass510.003 Da
  • Monoisotopic mass509.199371 Da
  • ChemSpider ID76809186

More details:

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

Benzamide, N-[4'-(acetylamino)-4-(4-methyl-1-piperazinyl)[1,1'-biphenyl]-3-yl]-5-amino-2-chloro-4-fluoro-3-methyl- [ACD/Index Name]
N-[4'-Acetamido-4-(4-methyl-1-piperazinyl)-3-biphenylyl]-5-amino-2-chlor-4-fluor-3-methylbenzamid [German] [ACD/IUPAC Name]
N-[4'-Acetamido-4-(4-methyl-1-piperazinyl)-3-biphenylyl]-5-amino-2-chloro-4-fluoro-3-methylbenzamide [ACD/IUPAC Name]
N-[4'-Acétamido-4-(4-méthyl-1-pipérazinyl)-3-biphénylyl]-5-amino-2-chloro-4-fluoro-3-méthylbenzamide [French] [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: 690.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.2±3.0 kJ/mol
Flash Point: 371.6±31.5 °C
Index of Refraction: 1.661
Molar Refractivity: 142.1±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 3.08
ACD/LogD (pH 5.5): 2.13
ACD/BCF (pH 5.5): 10.80
ACD/KOC (pH 5.5): 73.30
ACD/LogD (pH 7.4): 3.45
ACD/BCF (pH 7.4): 230.21
ACD/KOC (pH 7.4): 1563.08
Polar Surface Area: 91 Å2
Polarizability: 56.3±0.5 10-24cm3
Surface Tension: 59.2±3.0 dyne/cm
Molar Volume: 384.7±3.0 cm3

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