4-chloro-N-[(Z)-(2-fluoro-4-pyrrolidin-1-ylphenyl)methylideneamino]benzamide
Formula:C18H17N3OClF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-chloro-N-[(Z)-(2-fluoro-4-pyrrolidin-1-ylphenyl)methylideneamino]benzamide is a drug-like molecule.
| MolName | 4-chloro-N-[(Z)-(2-fluoro-4-pyrrolidin-1-ylphenyl)methylideneamino]benzamide |
| MolecularFormula | C18H17N3OClF |
| Smiles | O=C(c(cc1)ccc1Cl)N/N=C\c(ccc(N1CCCC1)c1)c1F |
| InChI | InChI=1S/C18H17ClFN3O/c19-15-6-3-13(4-7-15)18(24)22-21-12-14-5-8-16(11-17(14)20)23-9-1-2-10-23/h3-8,11-12H,1-2,9-10H2,(H,22,24) |
| InChIK | CLKHKUHLQORTAJ-UHFFFAOYSA-N |
| TotalMolweight | 345.804 |
| Molweight | 345.804 |
| MonoisotopicMass | 345.104417 |
| CLogP | 4.3994 |
| CLogS | -5.493 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 260.6 |
| Relative PSA | 0.1518 |
| PolarSurfaceArea | 44.7 |
| Druglikeness | 4.5517 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
Click to Load Molecule:
1 - 4-chloro-N-[(Z)-(2-fluoro-4-pyrrolidin-1-ylphenyl)methylideneamino]benzamide | 2 - 4-chloro-N-[(Z)-(2-fluoro-4-pyrrolidin-1-ylphenyl)methylideneamino]benzamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off