chempirical

Sorafenib

C21H16ClF3N4O3CAS 284461-73-0464.83 g/mol

Open in Covalent MOL file
NHOONHOHNClFFFN
Alkyl halideAmideAryl halideEther

Properties

Molecular formula
C21H16ClF3N4O3
Molar mass
464.83 g/mol
Exact mass
464.0863 Da
Melting point
215 °C
logP
5.56Crippen estimate
Polar surface area
95.8 Ų
H-bond donors / acceptors
3 / 4
Rotatable bonds
5

Identifiers

CAS number
284461-73-0
SMILES
CNC(=O)c1cc(Oc2ccc(NC(O)=Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1
InChIKey
MLDQJTXFUGDVEO-UHFFFAOYSA-N
InChI
InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)

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Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names
  • 2-Pyridinecarboxamide, 4-[4-[[[[4-chloro-3-(trifluoromethyl)phenyl]amino]carbonyl]amino]phenoxy]-N-methyl-
  • BAY 43-9006
  • N-[4-Chloro-3-(trifluoromethyl)phenyl]-N′-[4-[2-(N-methylcarbamoyl)-4-pyridyloxy]phenyl]urea
  • Nevaxar
  • 4-[4-[[[[4-Chloro-3-(trifluoromethyl)phenyl]amino]carbonyl]amino]phenoxy]-N-methyl-2-pyridinecarboxamide

Work with Sorafenib

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Nexavar475207-59-181 % similar Regorafenib755037-03-780 % similar 2-Pyridinecarboxamide, 4-[4-[[[[4-chloro-3-(trifluoromethyl)phenyl]amino]carbonyl]amino]-3-fluorophenoxy]-N-methyl-, hydrochloride (1:1)835621-07-378 % similar Regorafenib monohydrate1019206-88-261 % similar 4-(4-Aminophenoxy)-N-methylpicolinamide284462-37-947 % similar 4-(4-Amino-3-fluorophenoxy)-N-methylpyridine-2-carboxamide757251-39-146 % similar Triclocarban101-20-238 % similar 4-Chloro-N-methylpicolinamide220000-87-337 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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