HomeMCPWorkbenchSkills
HomeWorkbenchNotificationsMe
Huagongshe Open Program:[email protected]AI access: llms.txt · MCP GuidePrivacy Policy · Terms of Service · Supportv1.7.8
  1. Home
  2. /Compound

3-chloro-5-({6-chloro-3-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-2-fluorophenyl}oxy)benzonitrile

HCID 59451612
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
N#Cc1cc(Cl)cc(Oc2c(Cl)ccc(CN3C(=O)c4ccccc4C3=O)c2F)c1
InChIKey
VOMDERZHCTXPTR-UHFFFAOYSA-N
Molecular formula
C22H11Cl2FN2O3
Average molar mass
441.2 g/mol

Names & identifiers

Preferred name
3-chloro-5-({6-chloro-3-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-2-fluorophenyl}oxy)benzonitrile
IUPAC
3-chloro-5-[6-chloro-3-[(1,3-dioxoisoindol-2-yl)methyl]-2-fluorophenoxy]benzonitrile

Names & synonyms

SCHEMBL3027987VOMDERZHCTXPTR-UHFFFAOYSA-N3-chloro-5-({6-chloro-3-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-2-fluorophenyl}oxy)benzonitrile

Database identifiers

PubChem CID
59451612

Properties

Computed structural properties

XLogP
5
Topological polar surface area
70.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
4
Heavy atoms
30
Formal charge
0
Complexity
704

Related reactions

4 records
New reaction record
HRID 144388 reaction equation
HRID 144388As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 177154 reaction equation
HRID 177154As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 1874785 reaction equation
HRID 1874785As productuspto-grants-2012_11
HRID 1874786 reaction equation
HRID 1874786As reactantuspto-grants-2012_11

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes