N-[(Z)-(4-chlorophenyl)methylideneamino]-4-(phenylcarbamoylamino)benzamide
Formula:C21H17N4O2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-chlorophenyl)methylideneamino]-4-(phenylcarbamoylamino)benzamide is a drug-like molecule.
| MolName | N-[(Z)-(4-chlorophenyl)methylideneamino]-4-(phenylcarbamoylamino)benzamide |
| MolecularFormula | C21H17N4O2Cl |
| Smiles | O=C(c(cc1)ccc1NC(Nc1ccccc1)=O)N/N=C\c(cc1)ccc1Cl |
| InChI | InChI=1S/C21H17ClN4O2/c22-17-10-6-15(7-11-17)14-23-26-20(27)16-8-12-19(13-9-16)25-21(28)24-18-4-2-1-3-5-18/h1-14H,(H,26,27)(H2,24,25,28) |
| InChIK | GBBBWSGIODUQBA-UHFFFAOYSA-N |
| TotalMolweight | 392.845 |
| Molweight | 392.845 |
| MonoisotopicMass | 392.104003 |
| CLogP | 4.949 |
| CLogS | -6.485 |
| H Acceptors | 6 |
| H Donors | 3 |
| TotalSurfaceArea | 302.84 |
| Relative PSA | 0.23765 |
| PolarSurfaceArea | 82.59 |
| Druglikeness | 4.8155 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 6 |
| Amides | 2 |
| StereoCon |
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1 - N-[(Z)-(4-chlorophenyl)methylideneamino]-4-(phenylcarbamoylamino)benzamide | 2 - N-[(Z)-(4-chlorophenyl)methylideneamino]-4-(phenylcarbamoylamino)benzamide
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