2-[(2-bromobenzoyl)amino]-N-[(Z)-(3-chlorophenyl)methylideneamino]benzamide
Formula:C21H15N3O2BrCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(2-bromobenzoyl)amino]-N-[(Z)-(3-chlorophenyl)methylideneamino]benzamide is not a drug-like molecule.
| MolName | 2-[(2-bromobenzoyl)amino]-N-[(Z)-(3-chlorophenyl)methylideneamino]benzamide |
| MolecularFormula | C21H15N3O2BrCl |
| Smiles | O=C(c(cccc1)c1Br)Nc(cccc1)c1C(N/N=C\c1cc(Cl)ccc1)=O |
| InChI | InChI=1S/C21H15BrClN3O2/c22-18-10-3-1-8-16(18)20(27)25-19-11-4-2-9-17(19)21(28)26-24-13-14-6-5-7-15(23)12-14/h1-13H,(H,25,27)(H,26,28) |
| InChIK | MVPBAFIIXLZWBU-UHFFFAOYSA-N |
| TotalMolweight | 456.726 |
| Molweight | 456.726 |
| MonoisotopicMass | 455.003615 |
| CLogP | 5.6803 |
| CLogS | -6.803 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 310.01 |
| Relative PSA | 0.19519 |
| PolarSurfaceArea | 70.56 |
| Druglikeness | 3.1185 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.57143 |
| 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 |
| Amides | 1 |
| StereoCon |
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1 - 2-[(2-bromobenzoyl)amino]-N-[(Z)-(3-chlorophenyl)methylideneamino]benzamide | 2 - 2-[(2-bromobenzoyl)amino]-N-[(Z)-(3-chlorophenyl)methylideneamino]benzamide
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