1-(4-chlorobenzoyl)-N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]piperidine-4-carboxamide
Formula:C20H18N3O2Cl2F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-(4-chlorobenzoyl)-N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]piperidine-4-carboxamide is a drug-like molecule.
| MolName | 1-(4-chlorobenzoyl)-N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]piperidine-4-carboxamide |
| MolecularFormula | C20H18N3O2Cl2F |
| Smiles | O=C(C(CC1)CCN1C(c(cc1)ccc1Cl)=O)N/N=C\c(c(F)ccc1)c1Cl |
| InChI | InChI=1S/C20H18Cl2FN3O2/c21-15-6-4-14(5-7-15)20(28)26-10-8-13(9-11-26)19(27)25-24-12-16-17(22)2-1-3-18(16)23/h1-7,12-13H,8-11H2,(H,25,27) |
| InChIK | VRYOYQGNJMZWBY-UHFFFAOYSA-N |
| TotalMolweight | 422.286 |
| Molweight | 422.286 |
| MonoisotopicMass | 421.076009 |
| CLogP | 4.8606 |
| CLogS | -5.728 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 306.27 |
| Relative PSA | 0.17174 |
| PolarSurfaceArea | 61.77 |
| Druglikeness | 6.2911 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - 1-(4-chlorobenzoyl)-N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]piperidine-4-carboxamide | 2 - 1-(4-chlorobenzoyl)-N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]piperidine-4-carboxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off