3-bromo-N-{2-[2-nitro-5-(pyrrolidin-1-yl)anilino]ethyl}benzamide
Chemical Structure Depiction of
3-bromo-N-{2-[2-nitro-5-(pyrrolidin-1-yl)anilino]ethyl}benzamide
3-bromo-N-{2-[2-nitro-5-(pyrrolidin-1-yl)anilino]ethyl}benzamide
Compound characteristics
| Compound ID: | 8014-2995 |
| Compound Name: | 3-bromo-N-{2-[2-nitro-5-(pyrrolidin-1-yl)anilino]ethyl}benzamide |
| Molecular Weight: | 433.3 |
| Molecular Formula: | C19 H21 Br N4 O3 |
| Smiles: | C1CCN(C1)c1ccc(c(c1)NCCNC(c1cccc(c1)[Br])=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.9988 |
| logD: | 3.9988 |
| logSw: | -4.2398 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.042 |
| InChI Key: | VLXIQGPFOSNRFR-UHFFFAOYSA-N |