N-[(Z)-(3-bromophenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide
Formula:C16H13N3OBrF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(3-bromophenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide is a drug-like molecule.
| MolName | N-[(Z)-(3-bromophenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide |
| MolecularFormula | C16H13N3OBrF3 |
| Smiles | O=C(CNc1cc(C(F)(F)F)ccc1)N/N=C\c1cccc(Br)c1 |
| InChI | InChI=1S/C16H13BrF3N3O/c17-13-5-1-3-11(7-13)9-22-23-15(24)10-21-14-6-2-4-12(8-14)16(18,19)20/h1-9,21H,10H2,(H,23,24) |
| InChIK | CQCCFFSLGUTDSM-UHFFFAOYSA-N |
| TotalMolweight | 400.197 |
| Molweight | 400.197 |
| MonoisotopicMass | 399.019407 |
| CLogP | 4.067 |
| CLogS | -5.155 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 260.3 |
| Relative PSA | 0.18237 |
| PolarSurfaceArea | 53.49 |
| Druglikeness | -3.9499 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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