HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 19081955Generated: October 27, 2026
1-[4-Acetylamino-5-bromo-2-(3,5-dimethoxybenzyloxy)phenyl]-5-bromopentan-1-one
https://huagongshe.com/en/chemical/19081955
Identifiers & Physical Properties
| Molecular formula | C22H25Br2NO5 |
|---|
| Average molar mass | 543.2 g/mol |
|---|
| SMILES | COc1cc(COc2cc(NC(C)=O)c(Br)cc2C(=O)CCCCBr)cc(OC)c1 |
|---|
| InChIKey | RFOSGLQNMQRBHJ-UHFFFAOYSA-N |
|---|
| PubChem CID | 19081955 |
|---|
Chemical & Physical Properties
| XLogP | 4.3 |
|---|
| Topological polar surface area | 73.9 |
|---|
| Hydrogen bond donors | 1 |
|---|
| Hydrogen bond acceptors | 5 |
|---|
| Rotatable bonds | 11 |
|---|
| Heavy atoms | 30 |
|---|
| Formal charge | 0 |
|---|
| Complexity | 538 |
|---|
![1-[4-Acetylamino-5-bromo-2-(3,5-dimethoxybenzyloxy)phenyl]-5-bromopentan-1-one molecular structure](/img/chemical/19081955.png)