(E)-N-[2-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide
Formula:C17H14N2O3F4
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(E)-N-[2-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-N-[2-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide |
| MolecularFormula | C17H14N2O3F4 |
| Smiles | O=C(CNC(/C=C/c1ccco1)=O)NCc1cc(F)cc(C(F)(F)F)c1 |
| InChI | InChI=1S/C17H14F4N2O3/c18-13-7-11(6-12(8-13)17(19,20)21)9-22-16(25)10-23-15(24)4-3-14-2-1-5-26-14/h1-8H,9-10H2,(H,22,25)(H,23,24) |
| InChIK | RSJZAZJEFBXBSR-UHFFFAOYSA-N |
| TotalMolweight | 370.301 |
| Molweight | 370.301 |
| MonoisotopicMass | 370.094055 |
| CLogP | 2.0672 |
| CLogS | -3.855 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 270.96 |
| Relative PSA | 0.23291 |
| PolarSurfaceArea | 71.34 |
| Druglikeness | -6.4528 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 2 |
| StereoCon |
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1 - (E)-N-[2-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide | 2 - (E)-N-[2-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide
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