Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCC(C(=O)NCC(=O)c2ccc(Br)cc2)C1- InChIKey
OPOMRJWMDIRICG-UHFFFAOYSA-N- Molecular formula
- C18H23BrN2O4
- Average molar mass
- 411.3 g/mol
Names & identifiers
- Preferred name
- 3-[2-(4-Bromo-phenyl)-2-oxo-ethylcarbamoyl]-pyrrolidine-1-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl 3-[[2-(4-bromophenyl)-2-oxoethyl]carbamoyl]pyrrolidine-1-carboxylate
Names & synonyms
SCHEMBL203532OPOMRJWMDIRICG-UHFFFAOYSA-N1256383-44-4DA-254483-[2-(4-Bromo-phenyl)-2-oxo-ethylcarbamoyl]-pyrrolidine-1-carboxylic acid tert-butyl ester3-[2-(4-bromo-phenyl)-2-oxo-ethylcarbarnoyl]-pyrrolidine-1-carboxylic acid tert-butyl ester
Database identifiers
- PubChem CID
- 59611512
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 75.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 510
Related reactions
18 records
Compound notes
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