N-[2-[(2Z)-2-[[3-[(4-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-oxoethyl]-4-fluorobenzamide
Formula:C23H19N3O3ClF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[2-[(2Z)-2-[[3-[(4-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-oxoethyl]-4-fluorobenzamide is a drug-like molecule.
| MolName | N-[2-[(2Z)-2-[[3-[(4-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-oxoethyl]-4-fluorobenzamide |
| MolecularFormula | C23H19N3O3ClF |
| Smiles | O=C(CNC(c(cc1)ccc1F)=O)N/N=C\c1cccc(OCc(cc2)ccc2Cl)c1 |
| InChI | InChI=1S/C23H19ClFN3O3/c24-19-8-4-16(5-9-19)15-31-21-3-1-2-17(12-21)13-27-28-22(29)14-26-23(30)18-6-10-20(25)11-7-18/h1-13H,14-15H2,(H,26,30)(H,28,29) |
| InChIK | NZKVECUQVKROKT-UHFFFAOYSA-N |
| TotalMolweight | 439.873 |
| Molweight | 439.873 |
| MonoisotopicMass | 439.109897 |
| CLogP | 4.3402 |
| CLogS | -5.879 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 335.25 |
| Relative PSA | 0.21032 |
| PolarSurfaceArea | 79.79 |
| Druglikeness | 3.7244 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.70968 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - N-[2-[(2Z)-2-[[3-[(4-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-oxoethyl]-4-fluorobenzamide | 2 - N-[2-[(2Z)-2-[[3-[(4-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-oxoethyl]-4-fluorobenzamide
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