1-[(4-bromophenyl)methyl]-N-[(Z)-(4-fluorophenyl)methylideneamino]piperidine-4-carboxamide
Formula:C20H21N3OBrF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-[(4-bromophenyl)methyl]-N-[(Z)-(4-fluorophenyl)methylideneamino]piperidine-4-carboxamide is a drug-like molecule.
| MolName | 1-[(4-bromophenyl)methyl]-N-[(Z)-(4-fluorophenyl)methylideneamino]piperidine-4-carboxamide |
| MolecularFormula | C20H21N3OBrF |
| Smiles | O=C(C1CCN(Cc(cc2)ccc2Br)CC1)N/N=C\c(cc1)ccc1F |
| InChI | InChI=1S/C20H21BrFN3O/c21-18-5-1-16(2-6-18)14-25-11-9-17(10-12-25)20(26)24-23-13-15-3-7-19(22)8-4-15/h1-8,13,17H,9-12,14H2,(H,24,26) |
| InChIK | JNIAZMCZPAVDFU-UHFFFAOYSA-N |
| TotalMolweight | 418.309 |
| Molweight | 418.309 |
| MonoisotopicMass | 417.085201 |
| CLogP | 4.2914 |
| CLogS | -4.961 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 290.07 |
| Relative PSA | 0.13638 |
| PolarSurfaceArea | 44.7 |
| Druglikeness | 6.1405 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.73077 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Symmetricatoms | 6 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 1-[(4-bromophenyl)methyl]-N-[(Z)-(4-fluorophenyl)methylideneamino]piperidine-4-carboxamide | 2 - 1-[(4-bromophenyl)methyl]-N-[(Z)-(4-fluorophenyl)methylideneamino]piperidine-4-carboxamide
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