N-(2-bromophenyl)-N'-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]pentanediamide
Formula:C18H16N3O2BrClF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-(2-bromophenyl)-N'-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]pentanediamide is a drug-like molecule.
| MolName | N-(2-bromophenyl)-N'-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]pentanediamide |
| MolecularFormula | C18H16N3O2BrClF |
| Smiles | O=C(CCCC(N/N=C\c(c(F)ccc1)c1Cl)=O)Nc(cccc1)c1Br |
| InChI | InChI=1S/C18H16BrClFN3O2/c19-13-5-1-2-8-16(13)23-17(25)9-4-10-18(26)24-22-11-12-14(20)6-3-7-15(12)21/h1-3,5-8,11H,4,9-10H2,(H,23,25)(H,24,26) |
| InChIK | WOXNLJQLRVJZOG-UHFFFAOYSA-N |
| TotalMolweight | 440.699 |
| Molweight | 440.699 |
| MonoisotopicMass | 439.009843 |
| CLogP | 4.9391 |
| CLogS | -6.219 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 297.88 |
| Relative PSA | 0.20314 |
| PolarSurfaceArea | 70.56 |
| Druglikeness | -3.7979 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65385 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Amides | 1 |
| StereoCon |
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1 - N-(2-bromophenyl)-N'-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]pentanediamide | 2 - N-(2-bromophenyl)-N'-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]pentanediamide
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