Heterocycle-guided synthesis of m-hetarylanilines via three-component benzannulation
Andrey R. Galeev, Maksim V. Dmitriev, Alexander S. Novikov and Andrey N. Maslivets
Beilstein J. Org. Chem. 2024, 20, 2208–2216.
https://doi.org/10.3762/bjoc.20.188
Chemical Information
Calculated using the Chemistry Development Kit 2.12
| Molecular Formula | C16H20FN3O4 |
| Molecular Weight | 337.35 g/mol |
| Exact Mass | 337.1438 Da |
| InChI |
InChI=1S/C16H20FN3O4/c1-11(21)18-9-13-10-20(16(22)24-13)12-2-3-15(14(17)8-12)19-4-6-23-7-5-19/h2-3,8,13H,4-7,9-10H2,1H3,(H,18,21)
|
| InChIKey |
TYZROVQLWOKYKF-UHFFFAOYSA-N
|
| SMILES |
CC(=O)NCC1CN(C2=CC=C(C(=C2)F)N3CCOCC3)C(=O)O1
|
| Number of Atoms | 44 |
| Number of H-Bond Acceptors | 7 |
| Number of H-Bond Donors | 1 |
| Atoms in the Largest π-System | 11 |
| XLogP | 0.4 |
