N-[(Z)-(4-pyrrolidin-1-ylphenyl)methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide
Formula:C20H20N3OF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-pyrrolidin-1-ylphenyl)methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide is a drug-like molecule.
| MolName | N-[(Z)-(4-pyrrolidin-1-ylphenyl)methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide |
| MolecularFormula | C20H20N3OF3 |
| Smiles | O=C(Cc1cccc(C(F)(F)F)c1)N/N=C\c(cc1)ccc1N1CCCC1 |
| InChI | InChI=1S/C20H20F3N3O/c21-20(22,23)17-5-3-4-16(12-17)13-19(27)25-24-14-15-6-8-18(9-7-15)26-10-1-2-11-26/h3-9,12,14H,1-2,10-11,13H2,(H,25,27) |
| InChIK | ARBKRDXXHQJCKO-UHFFFAOYSA-N |
| TotalMolweight | 375.393 |
| Molweight | 375.393 |
| MonoisotopicMass | 375.155846 |
| CLogP | 4.539 |
| CLogS | -5.186 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 282.05 |
| Relative PSA | 0.14026 |
| PolarSurfaceArea | 44.7 |
| Druglikeness | -1.2714 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 6 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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