(E)-3-(furan-2-yl)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]prop-2-enamide
Formula:C18H17N2O2F3
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(E)-3-(furan-2-yl)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]prop-2-enamide is a drug-like molecule.
| MolName | (E)-3-(furan-2-yl)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]prop-2-enamide |
| MolecularFormula | C18H17N2O2F3 |
| Smiles | O=C(/C=C/c1ccco1)Nc(cc(C(F)(F)F)cc1)c1N1CCCC1 |
| InChI | InChI=1S/C18H17F3N2O2/c19-18(20,21)13-5-7-16(23-9-1-2-10-23)15(12-13)22-17(24)8-6-14-4-3-11-25-14/h3-8,11-12H,1-2,9-10H2,(H,22,24) |
| InChIK | KWKXPBAXTXSAKE-UHFFFAOYSA-N |
| TotalMolweight | 350.339 |
| Molweight | 350.339 |
| MonoisotopicMass | 350.124212 |
| CLogP | 3.6643 |
| CLogS | -4.68 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 259.72 |
| Relative PSA | 0.16233 |
| PolarSurfaceArea | 45.48 |
| Druglikeness | -5.577 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 6 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
Click to Load Molecule:
1 - (E)-3-(furan-2-yl)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]prop-2-enamide | 2 - (E)-3-(furan-2-yl)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]prop-2-enamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off