N-[(Z)-(4-pyrrolidin-1-ylphenyl)methylideneamino]-3-(trifluoromethyl)benzamide
Formula:C19H18N3OF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-pyrrolidin-1-ylphenyl)methylideneamino]-3-(trifluoromethyl)benzamide is a drug-like molecule.
| MolName | N-[(Z)-(4-pyrrolidin-1-ylphenyl)methylideneamino]-3-(trifluoromethyl)benzamide |
| MolecularFormula | C19H18N3OF3 |
| Smiles | O=C(c1cccc(C(F)(F)F)c1)N/N=C\c(cc1)ccc1N1CCCC1 |
| InChI | InChI=1S/C19H18F3N3O/c20-19(21,22)16-5-3-4-15(12-16)18(26)24-23-13-14-6-8-17(9-7-14)25-10-1-2-11-25/h3-9,12-13H,1-2,10-11H2,(H,24,26) |
| InChIK | PGEWSRIXXVYZOT-UHFFFAOYSA-N |
| TotalMolweight | 361.366 |
| Molweight | 361.366 |
| MonoisotopicMass | 361.140196 |
| CLogP | 4.5409 |
| CLogS | -5.221 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 268.29 |
| Relative PSA | 0.14745 |
| PolarSurfaceArea | 44.7 |
| Druglikeness | -1.3048 |
| 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 | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 6 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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