N-[(Z)-pyridin-4-ylmethylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide
Formula:C15H13N4OF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-pyridin-4-ylmethylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide is a drug-like molecule.
| MolName | N-[(Z)-pyridin-4-ylmethylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide |
| MolecularFormula | C15H13N4OF3 |
| Smiles | O=C(CNc1cccc(C(F)(F)F)c1)N/N=C\c1ccncc1 |
| InChI | InChI=1S/C15H13F3N4O/c16-15(17,18)12-2-1-3-13(8-12)20-10-14(23)22-21-9-11-4-6-19-7-5-11/h1-9,20H,10H2,(H,22,23) |
| InChIK | RCCVKJHSAFZVCK-UHFFFAOYSA-N |
| TotalMolweight | 322.289 |
| Molweight | 322.289 |
| MonoisotopicMass | 322.104145 |
| CLogP | 2.3409 |
| CLogS | -3.526 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 240.43 |
| Relative PSA | 0.24306 |
| PolarSurfaceArea | 66.38 |
| Druglikeness | -2.1599 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amines | 1 |
| Aromatic Amines | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-pyridin-4-ylmethylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide | 2 - N-[(Z)-pyridin-4-ylmethylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide
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