Basic information
- CAS
852682-58-7- Standard SMILES
CC(OC(=O)Cc1ccc(Br)cc1)C(=O)NC1CCCC1- InChIKey
SJJUDEOMPTWBSA-UHFFFAOYSA-N- Molecular formula
- C16H20BrNO3
- Average molar mass
- 354.24 g/mol
- Monoisotopic mass
- 353.06266
Names & identifiers
- Preferred name
- [1-(Cyclopentylamino)-1-oxopropan-2-yl] 2-(4-bromophenyl)acetate
- IUPAC
- [1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(4-bromophenyl)acetate
Names & synonyms
[1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(4-bromophenyl)acetateMLS002251914CHEMBL1725586DTXSID201329980HMS3083C19AKOS033644533852682-58-7SMR001314278Z188297561-(Cyclopentylamino)-1-oxopropan-2-yl (4-bromophenyl)acetate
Database identifiers
- CAS
852682-58-7- PubChem CID
- 4666331
- DTXSID
DTXSID201329980- ChEMBL
CHEMBL1725586
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 361
Experimental & physicochemical properties
Solubility48.7 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…