N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-[(2-naphthalen-2-yloxyacetyl)amino]acetamide
Formula:C21H17N3O3ClF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-[(2-naphthalen-2-yloxyacetyl)amino]acetamide is a drug-like molecule.
| MolName | N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-[(2-naphthalen-2-yloxyacetyl)amino]acetamide |
| MolecularFormula | C21H17N3O3ClF |
| Smiles | O=C(CNC(COc1cc2ccccc2cc1)=O)N/N=C\c(c(F)ccc1)c1Cl |
| InChI | InChI=1S/C21H17ClFN3O3/c22-18-6-3-7-19(23)17(18)11-25-26-20(27)12-24-21(28)13-29-16-9-8-14-4-1-2-5-15(14)10-16/h1-11H,12-13H2,(H,24,28)(H,26,27) |
| InChIK | FNPDHSZYNXJQNT-UHFFFAOYSA-N |
| TotalMolweight | 413.835 |
| Molweight | 413.835 |
| MonoisotopicMass | 413.094247 |
| CLogP | 3.7614 |
| CLogS | -5.924 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 310.09 |
| Relative PSA | 0.22739 |
| PolarSurfaceArea | 79.79 |
| Druglikeness | 3.89 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65517 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 3 |
| Amides | 1 |
| StereoCon |
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1 - N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-[(2-naphthalen-2-yloxyacetyl)amino]acetamide | 2 - N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-[(2-naphthalen-2-yloxyacetyl)amino]acetamide
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