4-Chloro-7-(1-(tert-butoxycarbonyl)indol-2-yl)isoindolinone

HCID 68487594
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(C)(C)OC(=O)n1c(-c2ccc(Cl)c3c2C(=O)NC3)cc2ccccc21
InChIKey
MBOMPWBBVDIQIV-UHFFFAOYSA-N
Molecular formula
C21H19ClN2O3
Average molar mass
382.8 g/mol

Names & identifiers

Preferred name
4-Chloro-7-(1-(tert-butoxycarbonyl)indol-2-yl)isoindolinone
IUPAC
tert-butyl 2-(7-chloro-3-oxo-1,2-dihydroisoindol-4-yl)indole-1-carboxylate

Names & synonyms

SCHEMBL3034386MBOMPWBBVDIQIV-UHFFFAOYSA-N4-chloro-7-(1-(tert-butoxycarbonyl)-indol-2-yl)isoindolinone4-chloro-7-(1-(tert-butoxycarbonyl)indol-2-yl)isoindolinone

Database identifiers

PubChem CID
68487594

Properties

Computed structural properties

XLogP
4.4
Topological polar surface area
60.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
27

Related reactions

3 records
New reaction record

Compound notes

Loading…