N-[2-chloro-5-(trifluoromethyl)phenyl]-N'-[(Z)-(2-fluorophenyl)methylideneamino]butanediamide
Formula:C18H14N3O2ClF4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[2-chloro-5-(trifluoromethyl)phenyl]-N'-[(Z)-(2-fluorophenyl)methylideneamino]butanediamide is a drug-like molecule.
| MolName | N-[2-chloro-5-(trifluoromethyl)phenyl]-N'-[(Z)-(2-fluorophenyl)methylideneamino]butanediamide |
| MolecularFormula | C18H14N3O2ClF4 |
| Smiles | O=C(CCC(N/N=C\c(cccc1)c1F)=O)Nc(cc(C(F)(F)F)cc1)c1Cl |
| InChI | InChI=1S/C18H14ClF4N3O2/c19-13-6-5-12(18(21,22)23)9-15(13)25-16(27)7-8-17(28)26-24-10-11-3-1-2-4-14(11)20/h1-6,9-10H,7-8H2,(H,25,27)(H,26,28) |
| InChIK | AYAMSAMXODRMED-UHFFFAOYSA-N |
| TotalMolweight | 415.773 |
| Molweight | 415.773 |
| MonoisotopicMass | 415.071066 |
| CLogP | 4.6078 |
| CLogS | -5.893 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 294.95 |
| Relative PSA | 0.20515 |
| PolarSurfaceArea | 70.56 |
| Druglikeness | -3.5688 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.60714 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[2-chloro-5-(trifluoromethyl)phenyl]-N'-[(Z)-(2-fluorophenyl)methylideneamino]butanediamide | 2 - N-[2-chloro-5-(trifluoromethyl)phenyl]-N'-[(Z)-(2-fluorophenyl)methylideneamino]butanediamide
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