N-[(Z)-(4-cyanophenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide
Formula:C17H13N4OF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-cyanophenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide is a drug-like molecule.
| MolName | N-[(Z)-(4-cyanophenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide |
| MolecularFormula | C17H13N4OF3 |
| Smiles | N#Cc1ccc(/C=N\NC(CNc2cccc(C(F)(F)F)c2)=O)cc1 |
| InChI | InChI=1S/C17H13F3N4O/c18-17(19,20)14-2-1-3-15(8-14)22-11-16(25)24-23-10-13-6-4-12(9-21)5-7-13/h1-8,10,22H,11H2,(H,24,25) |
| InChIK | JWRQPTBESSLZEI-UHFFFAOYSA-N |
| TotalMolweight | 346.311 |
| Molweight | 346.311 |
| MonoisotopicMass | 346.104145 |
| CLogP | 3.1774 |
| CLogS | -5.094 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 263.38 |
| Relative PSA | 0.23172 |
| PolarSurfaceArea | 77.28 |
| Druglikeness | -6.4399 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-(4-cyanophenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide | 2 - N-[(Z)-(4-cyanophenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off