N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-(4-iodoanilino)acetamide
Formula:C15H12N3OCl2I
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-(4-iodoanilino)acetamide is a drug-like molecule.
| MolName | N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-(4-iodoanilino)acetamide |
| MolecularFormula | C15H12N3OCl2I |
| Smiles | O=C(CNc(cc1)ccc1I)N/N=C\c(ccc(Cl)c1)c1Cl |
| InChI | InChI=1S/C15H12Cl2IN3O/c16-11-2-1-10(14(17)7-11)8-20-21-15(22)9-19-13-5-3-12(18)4-6-13/h1-8,19H,9H2,(H,21,22) |
| InChIK | VBGZRRIRPNMPIV-UHFFFAOYSA-N |
| TotalMolweight | 448.086 |
| Molweight | 448.086 |
| MonoisotopicMass | 446.940214 |
| CLogP | 4.1426 |
| CLogS | -6.031 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 269.33 |
| Relative PSA | 0.17625 |
| PolarSurfaceArea | 53.49 |
| Druglikeness | 5.4646 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.72727 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-(4-iodoanilino)acetamide | 2 - N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-(4-iodoanilino)acetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off