N-[(Z)-[3-chloro-4-[2-(2-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-fluorobenzamide
Formula:C22H16N3O3ClF2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[3-chloro-4-[2-(2-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-fluorobenzamide is a drug-like molecule.
| MolName | N-[(Z)-[3-chloro-4-[2-(2-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-fluorobenzamide |
| MolecularFormula | C22H16N3O3ClF2 |
| Smiles | O=C(COc(ccc(/C=N\NC(c(cccc1)c1F)=O)c1)c1Cl)Nc(cccc1)c1F |
| InChI | InChI=1S/C22H16ClF2N3O3/c23-16-11-14(12-26-28-22(30)15-5-1-2-6-17(15)24)9-10-20(16)31-13-21(29)27-19-8-4-3-7-18(19)25/h1-12H,13H2,(H,27,29)(H,28,30) |
| InChIK | RDLWXCRJWGNYRF-UHFFFAOYSA-N |
| TotalMolweight | 443.836 |
| Molweight | 443.836 |
| MonoisotopicMass | 443.084825 |
| CLogP | 4.7316 |
| CLogS | -6.377 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 327.84 |
| Relative PSA | 0.21507 |
| PolarSurfaceArea | 79.79 |
| Druglikeness | 3.3607 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64516 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-[3-chloro-4-[2-(2-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-fluorobenzamide | 2 - N-[(Z)-[3-chloro-4-[2-(2-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-fluorobenzamide
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