2-(3-bromophenoxy)-N-[(Z)-(2,6-difluorophenyl)methylideneamino]acetamide
Formula:C15H11N2O2BrF2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(3-bromophenoxy)-N-[(Z)-(2,6-difluorophenyl)methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(3-bromophenoxy)-N-[(Z)-(2,6-difluorophenyl)methylideneamino]acetamide |
| MolecularFormula | C15H11N2O2BrF2 |
| Smiles | O=C(COc1cccc(Br)c1)N/N=C\c(c(F)ccc1)c1F |
| InChI | InChI=1S/C15H11BrF2N2O2/c16-10-3-1-4-11(7-10)22-9-15(21)20-19-8-12-13(17)5-2-6-14(12)18/h1-8H,9H2,(H,20,21) |
| InChIK | BUVRRSNEUGMTPV-UHFFFAOYSA-N |
| TotalMolweight | 369.164 |
| Molweight | 369.164 |
| MonoisotopicMass | 367.997195 |
| CLogP | 3.7033 |
| CLogS | -4.963 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 242.08 |
| Relative PSA | 0.19006 |
| PolarSurfaceArea | 50.69 |
| Druglikeness | 1.0666 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 3 |
| StereoCon |
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1 - 2-(3-bromophenoxy)-N-[(Z)-(2,6-difluorophenyl)methylideneamino]acetamide | 2 - 2-(3-bromophenoxy)-N-[(Z)-(2,6-difluorophenyl)methylideneamino]acetamide
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