N-[(1-benzylpiperidin-4-ylidene)amino]-2,4-dichlorobenzamide
Formula:C19H19N3OCl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(1-benzylpiperidin-4-ylidene)amino]-2,4-dichlorobenzamide is a drug-like molecule.
| MolName | N-[(1-benzylpiperidin-4-ylidene)amino]-2,4-dichlorobenzamide |
| MolecularFormula | C19H19N3OCl2 |
| Smiles | O=C(c(ccc(Cl)c1)c1Cl)NN=C1CCN(Cc2ccccc2)CC1 |
| InChI | InChI=1S/C19H19Cl2N3O/c20-15-6-7-17(18(21)12-15)19(25)23-22-16-8-10-24(11-9-16)13-14-4-2-1-3-5-14/h1-7,12H,8-11,13H2,(H,23,25) |
| InChIK | YVFUOFDSERSMKH-UHFFFAOYSA-N |
| TotalMolweight | 376.286 |
| Molweight | 376.286 |
| MonoisotopicMass | 375.090516 |
| CLogP | 4.5278 |
| CLogS | -4.991 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 281.64 |
| Relative PSA | 0.14046 |
| PolarSurfaceArea | 44.7 |
| Druglikeness | 6.919 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone |
| Shape Index | 0.68 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 4 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - N-[(1-benzylpiperidin-4-ylidene)amino]-2,4-dichlorobenzamide | 2 - N-[(1-benzylpiperidin-4-ylidene)amino]-2,4-dichlorobenzamide
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