N'-[(Z)-(2,4-dichlorophenyl)methylideneamino]-N-[3-(trifluoromethyl)phenyl]propanediamide
Formula:C17H12N3O2Cl2F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-[(Z)-(2,4-dichlorophenyl)methylideneamino]-N-[3-(trifluoromethyl)phenyl]propanediamide is a drug-like molecule.
| MolName | N'-[(Z)-(2,4-dichlorophenyl)methylideneamino]-N-[3-(trifluoromethyl)phenyl]propanediamide |
| MolecularFormula | C17H12N3O2Cl2F3 |
| Smiles | O=C(CC(N/N=C\c(ccc(Cl)c1)c1Cl)=O)Nc1cc(C(F)(F)F)ccc1 |
| InChI | InChI=1S/C17H12Cl2F3N3O2/c18-12-5-4-10(14(19)7-12)9-23-25-16(27)8-15(26)24-13-3-1-2-11(6-13)17(20,21)22/h1-7,9H,8H2,(H,24,26)(H,25,27) |
| InChIK | IHDCWBUBTFATLD-UHFFFAOYSA-N |
| TotalMolweight | 418.201 |
| Molweight | 418.201 |
| MonoisotopicMass | 417.025865 |
| CLogP | 4.6586 |
| CLogS | -6.045 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 290.26 |
| Relative PSA | 0.20847 |
| PolarSurfaceArea | 70.56 |
| Druglikeness | -5.1184 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - N'-[(Z)-(2,4-dichlorophenyl)methylideneamino]-N-[3-(trifluoromethyl)phenyl]propanediamide | 2 - N'-[(Z)-(2,4-dichlorophenyl)methylideneamino]-N-[3-(trifluoromethyl)phenyl]propanediamide
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