N-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide
Formula:C17H14N3O2F5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide is a drug-like molecule.
| MolName | N-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide |
| MolecularFormula | C17H14N3O2F5 |
| Smiles | O=C(CNc1cccc(C(F)(F)F)c1)N/N=C\c(cc1)ccc1OC(F)F |
| InChI | InChI=1S/C17H14F5N3O2/c18-16(19)27-14-6-4-11(5-7-14)9-24-25-15(26)10-23-13-3-1-2-12(8-13)17(20,21)22/h1-9,16,23H,10H2,(H,25,26) |
| InChIK | ONUAYBDKGJFFJA-UHFFFAOYSA-N |
| TotalMolweight | 387.307 |
| Molweight | 387.307 |
| MonoisotopicMass | 387.100617 |
| CLogP | 3.5112 |
| CLogS | -4.943 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 276.87 |
| Relative PSA | 0.20757 |
| PolarSurfaceArea | 62.72 |
| Druglikeness | -2.0318 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 8 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 5 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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1 - N-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide | 2 - N-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide
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