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Sorafenib EP Impurity H

CAT: 1596-AR-S01789-01Size: 50 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-S01789-01Size:50 Units
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CAS Number
1431697-81-2
Synonyms
4- (4- (3- (2-chloro-3- (trifluoromethyl) phenyl) ureido) phenoxy) -N-methylpicolinamide; 4-Deschloro-2-chloro-Sorafenib
Molecular Formula
C21H16ClF3N4O3
Molecular Weight
464.83
API Name
Sorafenib

Chemical Information

4-(4-((((2-Chloro-3-(trifluoromethyl)phenyl)amino)carbonyl)amino)phenoxy)-N-methyl-2-pyridinecarboxamide
CAS Number1431697-81-2
PubChem CID118703724
IUPAC Name4-[4-[[2-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
Molecular FormulaC21H16ClF3N4O3
Molecular Weight464.8
XLogP4.1
Topological Polar Surface Area92.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count32
Formal Charge0
Complexity646
SMILES
CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC=CC(=C3Cl)C(F)(F)F
InChI
InChI=1S/C21H16ClF3N4O3/c1-26-19(30)17-11-14(9-10-27-17)32-13-7-5-12(6-8-13)28-20(31)29-16-4-2-3-15(18(16)22)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)
InChIKey
JWAKXXCHFJSKRN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(4-((((2-Chloro-3-(trifluoromethyl)phenyl)amino)carbonyl)amino)phenoxy)-N-methyl-2-pyridinecarboxamide
CAS: 1431697-81-2
CID: 118703724
Formula: C21H16ClF3N4O3
MW: 464.8
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight464.8
XLogP34.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass464.0863026
Monoisotopic Mass464.0863026
Topological Polar Surface Area92.4 Ų
Heavy Atom Count32
Formal Charge0
Complexity646
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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