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3-(4-Acetylamino-1,3-dioxo-1,3-dihydro-isoindol-2-yl)-3-(4-difluoromethoxy-3-ethoxy-phenyl)-propionamide

HCID 10072999
NotesReactions

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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CCOc1cc(C(CC(N)=O)N2C(=O)c3cccc(NC(C)=O)c3C2=O)ccc1OC(F)F
InChIKey
GIWGNYYSCIELPD-UHFFFAOYSA-N
Molecular formula
C22H21F2N3O6
Average molar mass
461.4 g/mol

Names & identifiers

Preferred name
3-(4-Acetylamino-1,3-dioxo-1,3-dihydro-isoindol-2-yl)-3-(4-difluoromethoxy-3-ethoxy-phenyl)-propionamide
IUPAC
3-(4-acetamido-1,3-dioxoisoindol-2-yl)-3-[4-(difluoromethoxy)-3-ethoxyphenyl]propanamide

Names & synonyms

3-(4-acetylamino-1,3-dioxo-1,3-dihydro-isoindol-2-yl)-3-(4-difluoromethoxy-3-ethoxy-phenyl)-propionamideSCHEMBL1143705

Database identifiers

PubChem CID
10072999

Properties

Computed structural propertiesFilling in

XLogP
2.3
Topological polar surface area
128 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
8
Rotatable bonds
9
Heavy atoms
33
Formal charge
0
Complexity
766

Related reactions

4 records
New reaction record
HRID 346905 reaction equation
HRID 346905As productuspto-grants-2007_02
HRID 1367084 reaction equation
HRID 1367084As productuspto-grants-2011_02
HRID 1694269 reaction equation
HRID 1694269As productuspto-grants-2012_04
HRID 1784990 reaction equation
HRID 1784990As productuspto-grants-2009_03

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes