Basic information
- CAS
6186-26-1- Standard SMILES
O=C(NCc1ccco1)C1CC(=O)N(c2ccc(Br)cc2)C1- InChIKey
UXVOFBZILIEFNM-UHFFFAOYSA-N- Molecular formula
- C16H15BrN2O3
- Average molar mass
- 363.21 g/mol
- Monoisotopic mass
- 362.0266
Names & identifiers
- Preferred name
- 1-(4-bromophenyl)-N-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
- IUPAC
- 1-(4-bromophenyl)-N-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
Names & synonyms
1-(4-bromophenyl)-N-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamideSTK1693536186-26-1CDS1_003518CBMicro_010942Cambridge id 6186261DivK1c_004558DTXSID50397932SMSF0016744AKOS000339346AKOS022086462CB14337
Show more names
BIM-0011145.P001AG-219/13129126SR-01000230188SR-01000230188-11-(4-bromophenyl)-N-(2-furylmethyl)-5-oxo-3-pyrrolidinecarboxamide1-(4-Bromophenyl)-N-[(furan-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide352209-04-2
Database identifiers
- CAS
6186-26-1- PubChem CID
- 3914367
- DTXSID
DTXSID50397932
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 62.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 424
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…