Compound Summary
Compound Information
nilutamide
Compound Name: | nilutamide |
Compound CID: | 4493 |
Synonyms: | nilutamide |
Iupac Name: | 5,5-dimethyl-3-[4-nitro-3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione |
InChI: | InChI=1S/C12H10F3N3O4/c1-11(2)9(19)17(10(20)16-11)6-3-4-8(18(21)22)7(5-6)12(13,14)15/h3-5H,1-2H3,(H,16,20) |
InChIKey: | XWXYUMMDTVBTOU-UHFFFAOYSA-N |
Canonical Smiles: | CC1(C(=O)N(C(=O)N1)C2=CC(=C(C=C2)[N+](=O)[O-])C(F)(F)F)C |
Isomeric Smiles: | CC1(C(=O)N(C(=O)N1)C2=CC(=C(C=C2)[N+](=O)[O-])C(F)(F)F)C |
Molecular Weight: | 317.22 |
Molecular Formula: | C12H10F3N3O4 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
nilutamide
Molecular Weight: | 317.22 |
Molecular Formula: | C12H10F3N3O4 |
Hydrogen Bond Donor Count: | 1 |
Hydrogen Bond Acceptor Count: | 7 |
Rotatable Bond Count: | 1 |
Heavy Atom Count: | 22 |
Complexity: | 515 |
Synonyms
nilutamide
Experimental Data
nilutamide
Experimental Data Visualization
nilutamide
Statistics Data
nilutamide
Statistics Data Visualization
nilutamide
