N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide
Formula:C17H14N3O3F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide is a drug-like molecule.
| MolName | N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide |
| MolecularFormula | C17H14N3O3F3 |
| Smiles | O=C(CNc1cccc(C(F)(F)F)c1)N/N=C\c(cc1)cc2c1OCO2 |
| InChI | InChI=1S/C17H14F3N3O3/c18-17(19,20)12-2-1-3-13(7-12)21-9-16(24)23-22-8-11-4-5-14-15(6-11)26-10-25-14/h1-8,21H,9-10H2,(H,23,24) |
| InChIK | SGGSSGUTOFEVAY-UHFFFAOYSA-N |
| TotalMolweight | 365.31 |
| Molweight | 365.31 |
| MonoisotopicMass | 365.098726 |
| CLogP | 3.4532 |
| CLogS | -5.032 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 261.93 |
| Relative PSA | 0.25759 |
| PolarSurfaceArea | 71.95 |
| Druglikeness | -2.3345 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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1 - N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide | 2 - N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide
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