2-(2-bromo-4-chlorophenoxy)-N-[(Z)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]acetamide
Formula:C20H13N2O3BrClF3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
2-(2-bromo-4-chlorophenoxy)-N-[(Z)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-(2-bromo-4-chlorophenoxy)-N-[(Z)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]acetamide |
| MolecularFormula | C20H13N2O3BrClF3 |
| Smiles | O=C(COc(ccc(Cl)c1)c1Br)N/N=C\c1ccc(-c2cc(C(F)(F)F)ccc2)o1 |
| InChI | InChI=1S/C20H13BrClF3N2O3/c21-16-9-14(22)4-6-18(16)29-11-19(28)27-26-10-15-5-7-17(30-15)12-2-1-3-13(8-12)20(23,24)25/h1-10H,11H2,(H,27,28) |
| InChIK | COTRUPHQSLNWDY-UHFFFAOYSA-N |
| TotalMolweight | 501.685 |
| Molweight | 501.685 |
| MonoisotopicMass | 499.975015 |
| CLogP | 5.8949 |
| CLogS | -7.309 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 323.71 |
| Relative PSA | 0.18572 |
| PolarSurfaceArea | 63.83 |
| Druglikeness | -2.5463 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.63333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - 2-(2-bromo-4-chlorophenoxy)-N-[(Z)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]acetamide | 2 - 2-(2-bromo-4-chlorophenoxy)-N-[(Z)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]acetamide
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