Donafenib
4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-(trideuteriomethyl)pyridine-2-carboxamide
Molecular Identity
Donafenib
4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-(trideuteriomethyl)pyridine-2-carboxamide
PubChem CID: 25191001
2D Structure
Properties
C21H16ClF3N4O3
Molecular Formula
467.80
Molecular Weight
g/mol
467.1051
Exact Mass
Da
4.1
XLogP
Drug-like (Lipinski: < 5)
92.4
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
7
H-Bond Acceptors
646
Complexity
SMILES
Canonical SMILES
SMILES: CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)FIsomeric SMILES
SMILES: [2H]C([2H])([2H])NC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)FSynonyms(20)
Donafenib1130115-44-4CM-4307Zepsun41XGO0VS1U4-(4-((((4-Chloro-3-(trifluoromethyl)phenyl)amino)carbonyl)amino)phenoxy)-N-(methyl-d3)-2-pyridinecarboxamide4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-(trideuteriomethyl)pyridine-2-carboxamide2-Pyridinecarboxamide, 4-(4-((((4-chloro-3-(trifluoromethyl)phenyl)amino)carbonyl)amino)phenoxy)-N-(methyl-d3)-4-(4-((4-Chloro-3-(trifluoromethyl)phenyl)carbamoylamino)phenoxy)-N-(trideuteriomethyl)pyridine-2-carboxamide2-Pyridinecarboxamide, 4-[4-[[[[4-chloro-3-(trifluoromethyl)phenyl]amino]carbonyl]amino]phenoxy]-N-(methyl-d3)-RefChem:1356144-(4-(((4-chloro-3-(trifluoromethyl)phenyl)carbamoyl)amino)phenoxy)-N-(2H3)methylpyridine-2-carboxamideSorafenib-d3MFCD08460931Sorafenib D3
Data from PubChem (NCBI)
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