N'-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-N-(2-phenylethyl)propanediamide
Formula:C18H17N3O2ClF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-N-(2-phenylethyl)propanediamide is a drug-like molecule.
| MolName | N'-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-N-(2-phenylethyl)propanediamide |
| MolecularFormula | C18H17N3O2ClF |
| Smiles | O=C(CC(N/N=C\c(c(F)ccc1)c1Cl)=O)NCCc1ccccc1 |
| InChI | InChI=1S/C18H17ClFN3O2/c19-15-7-4-8-16(20)14(15)12-22-23-18(25)11-17(24)21-10-9-13-5-2-1-3-6-13/h1-8,12H,9-11H2,(H,21,24)(H,23,25) |
| InChIK | VWDSLLNGSABXPM-UHFFFAOYSA-N |
| TotalMolweight | 361.803 |
| Molweight | 361.803 |
| MonoisotopicMass | 361.099332 |
| CLogP | 3.4446 |
| CLogS | -4.773 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 279.25 |
| Relative PSA | 0.21669 |
| PolarSurfaceArea | 70.56 |
| Druglikeness | 1.1976 |
| 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 | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - N'-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-N-(2-phenylethyl)propanediamide | 2 - N'-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-N-(2-phenylethyl)propanediamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off