N-[(Z)-[3-chloro-4-[2-(2-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-(4-chlorophenoxy)acetamide
Formula:C23H18N3O4Cl2F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
N-[(Z)-[3-chloro-4-[2-(2-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-(4-chlorophenoxy)acetamide is a drug-like molecule.
| MolName | N-[(Z)-[3-chloro-4-[2-(2-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-(4-chlorophenoxy)acetamide |
| MolecularFormula | C23H18N3O4Cl2F |
| Smiles | O=C(COc(ccc(/C=N\NC(COc(cc1)ccc1Cl)=O)c1)c1Cl)Nc(cccc1)c1F |
| InChI | InChI=1S/C23H18Cl2FN3O4/c24-16-6-8-17(9-7-16)32-14-23(31)29-27-12-15-5-10-21(18(25)11-15)33-13-22(30)28-20-4-2-1-3-19(20)26/h1-12H,13-14H2,(H,28,30)(H,29,31) |
| InChIK | YJKFXQVQWWIQSB-UHFFFAOYSA-N |
| TotalMolweight | 490.317 |
| Molweight | 490.317 |
| MonoisotopicMass | 489.065839 |
| CLogP | 4.8117 |
| CLogS | -6.579 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 360.67 |
| Relative PSA | 0.22322 |
| PolarSurfaceArea | 89.02 |
| Druglikeness | 3.3607 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.69697 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 9 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - N-[(Z)-[3-chloro-4-[2-(2-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-(4-chlorophenoxy)acetamide | 2 - N-[(Z)-[3-chloro-4-[2-(2-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-(4-chlorophenoxy)acetamide
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