Basic information
- CAS
791082-23-0- Standard SMILES
CC1CN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)CC(C)O1- InChIKey
JKICJQKNLPETJK-UHFFFAOYSA-N- Molecular formula
- C14H18BrN3O4
- Average molar mass
- 372.21 g/mol
- Monoisotopic mass
- 371.04807
Names & identifiers
- Preferred name
- N-(2-bromo-4-nitrophenyl)-2-(2,6-dimethylmorpholin-4-yl)acetamide
- IUPAC
- N-(2-bromo-4-nitrophenyl)-2-(2,6-dimethylmorpholin-4-yl)acetamide
Names & synonyms
N-(2-bromo-4-nitrophenyl)-2-(2,6-dimethylmorpholin-4-yl)acetamideMLS001033825CHEMBL1588890DTXSID901322878HMS2726E04AKOS034383454791082-23-0SMR000385720AB00610030-02Z46163670
Database identifiers
- CAS
791082-23-0- PubChem CID
- 4875561
- DTXSID
DTXSID901322878- ChEMBL
CHEMBL1588890
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 87.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 407
Experimental & physicochemical properties
Solubility6.4 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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