2-(4-bromoanilino)-N-[(Z)-(4-fluorophenyl)methylideneamino]acetamide
Formula:C15H13N3OBrF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(4-bromoanilino)-N-[(Z)-(4-fluorophenyl)methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(4-bromoanilino)-N-[(Z)-(4-fluorophenyl)methylideneamino]acetamide |
| MolecularFormula | C15H13N3OBrF |
| Smiles | O=C(CNc(cc1)ccc1Br)N/N=C\c(cc1)ccc1F |
| InChI | InChI=1S/C15H13BrFN3O/c16-12-3-7-14(8-4-12)18-10-15(21)20-19-9-11-1-5-13(17)6-2-11/h1-9,18H,10H2,(H,20,21) |
| InChIK | KKWOQDIRMUBOQP-UHFFFAOYSA-N |
| TotalMolweight | 350.19 |
| Molweight | 350.19 |
| MonoisotopicMass | 349.022601 |
| CLogP | 3.3195 |
| CLogS | -4.691 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 237.19 |
| Relative PSA | 0.20013 |
| PolarSurfaceArea | 53.49 |
| Druglikeness | 1.9001 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.7619 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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1 - 2-(4-bromoanilino)-N-[(Z)-(4-fluorophenyl)methylideneamino]acetamide | 2 - 2-(4-bromoanilino)-N-[(Z)-(4-fluorophenyl)methylideneamino]acetamide
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