N-[(Z)-(2-iodophenyl)methylideneamino]-3-(trifluoromethyl)benzamide
Formula:C15H10N2OF3I
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2-iodophenyl)methylideneamino]-3-(trifluoromethyl)benzamide is a drug-like molecule.
| MolName | N-[(Z)-(2-iodophenyl)methylideneamino]-3-(trifluoromethyl)benzamide |
| MolecularFormula | C15H10N2OF3I |
| Smiles | O=C(c1cc(C(F)(F)F)ccc1)N/N=C\c(cccc1)c1I |
| InChI | InChI=1S/C15H10F3IN2O/c16-15(17,18)12-6-3-5-10(8-12)14(22)21-20-9-11-4-1-2-7-13(11)19/h1-9H,(H,21,22) |
| InChIK | QDZURMQQBSCPMR-UHFFFAOYSA-N |
| TotalMolweight | 418.151 |
| Molweight | 418.151 |
| MonoisotopicMass | 417.978995 |
| CLogP | 4.487 |
| CLogS | -5.515 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 242.73 |
| Relative PSA | 0.14835 |
| PolarSurfaceArea | 41.46 |
| Druglikeness | -2.2869 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-(2-iodophenyl)methylideneamino]-3-(trifluoromethyl)benzamide | 2 - N-[(Z)-(2-iodophenyl)methylideneamino]-3-(trifluoromethyl)benzamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off