3-bromo-N-[2-methyl-4-nitro-5-(pyrrolidin-1-yl)phenyl]benzamide
Chemical Structure Depiction of
3-bromo-N-[2-methyl-4-nitro-5-(pyrrolidin-1-yl)phenyl]benzamide
3-bromo-N-[2-methyl-4-nitro-5-(pyrrolidin-1-yl)phenyl]benzamide
Compound characteristics
Compound ID: | 8013-7961 |
Compound Name: | 3-bromo-N-[2-methyl-4-nitro-5-(pyrrolidin-1-yl)phenyl]benzamide |
Molecular Weight: | 404.26 |
Molecular Formula: | C18 H18 Br N3 O3 |
Smiles: | Cc1cc(c(cc1NC(c1cccc(c1)[Br])=O)N1CCCC1)[N+]([O-])=O |
Stereo: | ACHIRAL |
logP: | 4.6629 |
logD: | 3.8451 |
logSw: | -4.4886 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 59.23 |
InChI Key: | XLOHXISRTAWMER-UHFFFAOYSA-N |