N-[(E)-3-oxo-1-pyridin-3-yl-3-[3-(trifluoromethyl)anilino]prop-1-en-2-yl]furan-2-carboxamide
Formula:C20H14N3O3F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(E)-3-oxo-1-pyridin-3-yl-3-[3-(trifluoromethyl)anilino]prop-1-en-2-yl]furan-2-carboxamide is a drug-like molecule.
| MolName | N-[(E)-3-oxo-1-pyridin-3-yl-3-[3-(trifluoromethyl)anilino]prop-1-en-2-yl]furan-2-carboxamide |
| MolecularFormula | C20H14N3O3F3 |
| Smiles | O=C(/C(/NC(c1ccco1)=O)=C\c1cnccc1)Nc1cccc(C(F)(F)F)c1 |
| InChI | InChI=1S/C20H14F3N3O3/c21-20(22,23)14-5-1-6-15(11-14)25-18(27)16(10-13-4-2-8-24-12-13)26-19(28)17-7-3-9-29-17/h1-12H,(H,25,27)(H,26,28) |
| InChIK | AXRCQVOEAOWZPI-UHFFFAOYSA-N |
| TotalMolweight | 401.343 |
| Molweight | 401.343 |
| MonoisotopicMass | 401.098726 |
| CLogP | 3.4599 |
| CLogS | -4.538 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 293.82 |
| Relative PSA | 0.25213 |
| PolarSurfaceArea | 84.23 |
| Druglikeness | -4.3734 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.44828 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - N-[(E)-3-oxo-1-pyridin-3-yl-3-[3-(trifluoromethyl)anilino]prop-1-en-2-yl]furan-2-carboxamide | 2 - N-[(E)-3-oxo-1-pyridin-3-yl-3-[3-(trifluoromethyl)anilino]prop-1-en-2-yl]furan-2-carboxamide
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