N-[3-[[(Z)-(2,6-dichlorophenyl)methylideneamino]carbamoyl]phenyl]-2-fluorobenzamide
Formula:C21H14N3O2Cl2F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
N-[3-[[(Z)-(2,6-dichlorophenyl)methylideneamino]carbamoyl]phenyl]-2-fluorobenzamide is not a drug-like molecule.
| MolName | N-[3-[[(Z)-(2,6-dichlorophenyl)methylideneamino]carbamoyl]phenyl]-2-fluorobenzamide |
| MolecularFormula | C21H14N3O2Cl2F |
| Smiles | O=C(c1cc(NC(c(cccc2)c2F)=O)ccc1)N/N=C\c(c(Cl)ccc1)c1Cl |
| InChI | InChI=1S/C21H14Cl2FN3O2/c22-17-8-4-9-18(23)16(17)12-25-27-20(28)13-5-3-6-14(11-13)26-21(29)15-7-1-2-10-19(15)24/h1-12H,(H,26,29)(H,27,28) |
| InChIK | KAFOMPCHAYKOSJ-UHFFFAOYSA-N |
| TotalMolweight | 430.265 |
| Molweight | 430.265 |
| MonoisotopicMass | 429.044709 |
| CLogP | 5.6619 |
| CLogS | -7.019 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 313.15 |
| Relative PSA | 0.19323 |
| PolarSurfaceArea | 70.56 |
| Druglikeness | 3.5685 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.58621 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 3 |
| Amides | 1 |
| StereoCon |
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1 - N-[3-[[(Z)-(2,6-dichlorophenyl)methylideneamino]carbamoyl]phenyl]-2-fluorobenzamide | 2 - N-[3-[[(Z)-(2,6-dichlorophenyl)methylideneamino]carbamoyl]phenyl]-2-fluorobenzamide
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