(E)-N-(2-iodophenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
Formula:C16H11NOF3I
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-(2-iodophenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide is a drug-like molecule.
| MolName | (E)-N-(2-iodophenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide |
| MolecularFormula | C16H11NOF3I |
| Smiles | O=C(/C=C/c1cc(C(F)(F)F)ccc1)Nc(cccc1)c1I |
| InChI | InChI=1S/C16H11F3INO/c17-16(18,19)12-5-3-4-11(10-12)8-9-15(22)21-14-7-2-1-6-13(14)20/h1-10H,(H,21,22) |
| InChIK | OXQBDFVZNDMCIR-UHFFFAOYSA-N |
| TotalMolweight | 417.163 |
| Molweight | 417.163 |
| MonoisotopicMass | 416.983746 |
| CLogP | 4.4217 |
| CLogS | -5.292 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 244.47 |
| Relative PSA | 0.10022 |
| PolarSurfaceArea | 29.1 |
| Druglikeness | -7.0332 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - (E)-N-(2-iodophenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide | 2 - (E)-N-(2-iodophenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
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