4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide

  • Description:
  • Formula: C21H16ClF3N4O3
  • Molar mass: 464.8 g mol-1
  • InChI Key: MLDQJTXFUGDVEO-UHFFFAOYSA-N
4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide

Identifiers (23)

  • Standard 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) (Source: PubChem)
  • IUPAC Name: 4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide (Source: PubChem)
  • PubChem CID: 216239 (Source: PubChem)
  • SMILES String: CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F (Source: PubChem)
  • Connectivity SMILES string: CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F (Source: PubChem)
  • Standard InChIKey: MLDQJTXFUGDVEO-UHFFFAOYSA-N (Source: PubChem)
  • CAS Registry Number: 284461-73-0 (Source: PubChem)
  • ChEBI ID: CHEBI:50924 (Source: PubChem)
  • ChEMBL ID: CHEMBL1336 (Source: PubChem)
  • CompTox Dashboard Compound ID: DTXCID5021128 (Source: PubChem)
  • CompTox Dashboard Substance ID: DTXSID7041128 (Source: PubChem)
  • European Community Number: 608-209-4 (Source: PubChem)
  • Wikidata ID: Q421136 (Source: PubChem)
  • WHO ATC Classification Drug Code: L01EX02 (Source: ChEMBL)
  • WHO ATC Classification Drug Name: Sorafenib (Source: ChEMBL)
  • British National Formulary: Sorafenib (Source: ChEMBL)
  • Connectivity SMILES string: CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1 (Source: ChEMBL)
  • International Nonproprietary Name: Sorafenib (Source: ChEMBL)
  • Merck Index Name: Sorafenib (Source: ChEMBL)
  • Preferred Name: SORAFENIB (Source: ChEMBL)
  • Standard 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) (Source: ChEMBL)
  • Standard InChIKey: MLDQJTXFUGDVEO-UHFFFAOYSA-N (Source: ChEMBL)
  • US Adopted Name: Sorafenib (Source: ChEMBL)
  • Data (39)

  • Thermodynamic parameters: 4.1 (Source: PubChem)
  • Surface parameters: 32 (Source: PubChem)
  • Molecule statistics: 7 (Source: PubChem)
  • Molecule statistics: 3 (Source: PubChem)
  • Stuctural analysis: 646 (Source: PubChem)
  • Molecule statistics: 5 (Source: PubChem)
  • Surface parameters: 92.4 (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)
  • Thermodynamic parameters: 4.1 (Source: PubChem)
  • Molecule statistics: 1 (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)
  • Mass parameters: 464.0863026 Da (Source: PubChem)
  • Molecule statistics: 32 (Source: PubChem)
  • Molecule statistics: 7 (Source: PubChem)
  • Molecule statistics: 3 (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)
  • Surface parameters: 0 (Source: PubChem)
  • Stuctural analysis: 646 (Source: PubChem)
  • Stuctural analysis: 329.6 (Source: PubChem)
  • Mass parameters: 464.8 g/mol (Source: PubChem)
  • Mass parameters: 464.0863026 Da (Source: PubChem)
  • Molecule statistics: 5 (Source: PubChem)
  • Surface parameters: 92.4 Ų (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)
  • Thermodynamic parameters: 3 (Source: ChEMBL)
  • Thermodynamic parameters: 5.55 (Source: ChEMBL)
  • Molecule statistics: 32 (Source: ChEMBL)
  • Molecule statistics: 4 (Source: ChEMBL)
  • Molecule statistics: 3 (Source: ChEMBL)
  • Mass parameters: 464.83 g/mol (Source: ChEMBL)
  • Mass parameters: 464.83 g/mol (Source: ChEMBL)
  • Molecule statistics: -1.46 (Source: ChEMBL)
  • Molecule statistics: 92.35 (Source: ChEMBL)
  • Molecule statistics: 0.46 (Source: ChEMBL)
  • Molecule statistics: 5 (Source: ChEMBL)
  • Molecule statistics: 1 (Source: ChEMBL)
  • Information (7)

  • Chemical formula: C21H16ClF3N4O3 (Source: PubChem)
  • Chirality: 2 (Source: ChEMBL)
  • Chemical formula: C21H16ClF3N4O3 (Source: ChEMBL)
  • Molecule type: Small molecule (Source: ChEMBL)
  • Passes the rule of three : N (Source: ChEMBL)
  • USAN STEM Defintion: rapidly accelerated fibrosarcoma (RAF) kinase inhibitors (Source: ChEMBL)
  • USAN STEM: -rafenib (Source: ChEMBL)