N-[(Z)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide
Formula:C23H18N2O2F4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide is not a drug-like molecule.
| MolName | N-[(Z)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide |
| MolecularFormula | C23H18N2O2F4 |
| Smiles | O=C(Cc1cc(C(F)(F)F)ccc1)N/N=C\c(cc1)ccc1OCc(cccc1)c1F |
| InChI | InChI=1S/C23H18F4N2O2/c24-21-7-2-1-5-18(21)15-31-20-10-8-16(9-11-20)14-28-29-22(30)13-17-4-3-6-19(12-17)23(25,26)27/h1-12,14H,13,15H2,(H,29,30) |
| InChIK | KFSWNLOYPQNOGD-UHFFFAOYSA-N |
| TotalMolweight | 430.4 |
| Molweight | 430.4 |
| MonoisotopicMass | 430.13044 |
| CLogP | 5.4969 |
| CLogS | -6.119 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 320.08 |
| Relative PSA | 0.14375 |
| PolarSurfaceArea | 50.69 |
| Druglikeness | -3.1814 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64516 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide | 2 - N-[(Z)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off