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-[(6-Chloro-3-pyridinyl)imino]-1-phenyl-1,3-dihydro-2H-indol-2-one

HCID 9996959
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C1C(=Nc2ccc(Cl)nc2)c2ccccc2N1c1ccccc1
InChIKey
LUWLJWVSTCVJCZ-UHFFFAOYSA-N
Molecular formula
C19H12ClN3O
Average molar mass
333.8 g/mol

Names & identifiers

Preferred name
3-[(6-Chloro-3-pyridinyl)imino]-1-phenyl-1,3-dihydro-2H-indol-2-one
IUPAC
3-[(6-chloro-3-pyridinyl)imino]-1-phenylindol-2-one

Names & synonyms

SCHEMBL916874SCHEMBL916876LUWLJWVSTCVJCZ-UHFFFAOYSA-N3-[(6-CHLORO-3-PYRIDINYL)IMINO]-1-PHENYL-1,3-DIHYDRO-2H-INDOL-2-ONE

Database identifiers

PubChem CID
9996959

Properties

Computed structural properties

XLogP
4.2
Topological polar surface area
45.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
24
Formal charge
0
Complexity
503

Related reactions

6 records
New reaction record
HRID 139645 reaction equation
HRID 139645As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 218106 reaction equation
HRID 218106As productuspto-grants-2012_06
HRID 252299 reaction equation
HRID 252299As productuspto-grants-2011_01
HRID 1793605 reaction equation
HRID 1793605As productuspto-grants-2006_07
HRID 1988823 reaction equation
HRID 1988823As productuspto-grants-2010_01
HRID 2375505 reaction equation
HRID 2375505As productuspto-grants-2008_12

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes