3-[2-(4-Bromo-phenyl)-2-oxo-ethylcarbamoyl]-pyrrolidine-1-carboxylic acid tert-butyl ester

HCID 59611512

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

Related reactions

18 records

Compound notes

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