N-[(Z)-(4-iodophenyl)methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide
Formula:C16H12N2OF3I
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-iodophenyl)methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide is a drug-like molecule.
| MolName | N-[(Z)-(4-iodophenyl)methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide |
| MolecularFormula | C16H12N2OF3I |
| Smiles | O=C(Cc1cc(C(F)(F)F)ccc1)N/N=C\c(cc1)ccc1I |
| InChI | InChI=1S/C16H12F3IN2O/c17-16(18,19)13-3-1-2-12(8-13)9-15(23)22-21-10-11-4-6-14(20)7-5-11/h1-8,10H,9H2,(H,22,23) |
| InChIK | HMIWHOMYHZZZER-UHFFFAOYSA-N |
| TotalMolweight | 432.178 |
| Molweight | 432.178 |
| MonoisotopicMass | 431.994645 |
| CLogP | 4.4851 |
| CLogS | -5.48 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 256.49 |
| Relative PSA | 0.1404 |
| PolarSurfaceArea | 41.46 |
| Druglikeness | -2.3776 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| StereoCon |
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1 - N-[(Z)-(4-iodophenyl)methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide | 2 - N-[(Z)-(4-iodophenyl)methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide
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