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-[(5-fluoro-3-methyl-1H-indol-2-yl)-phenylmethyl]-4-hydroxy-5-methyl-5-phenyl-1H-pyrrol-2-one

HCID 69071633
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
Cc1c(C(C2=C(O)C(C)(c3ccccc3)NC2=O)c2ccccc2)[nH]c2ccc(F)cc12
InChIKey
MWLOYEHGXLNGJS-UHFFFAOYSA-N
Molecular formula
C27H23FN2O2
Average molar mass
426.5 g/mol
Monoisotopic mass
426.17435614

Names & identifiers

Preferred name
3-[(5-fluoro-3-methyl-1H-indol-2-yl)-phenylmethyl]-4-hydroxy-5-methyl-5-phenyl-1H-pyrrol-2-one
IUPAC
3-[(5-fluoro-3-methyl-1H-indol-2-yl)-phenylmethyl]-4-hydroxy-5-methyl-5-phenyl-1H-pyrrol-2-one

Names & synonyms

SCHEMBL4507089

Database identifiers

PubChem CID
69071633

Properties

Computed structural properties

XLogP
4.9
Topological polar surface area
65.1 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
32
Formal charge
0
Complexity
742

Related reactions

1 records
New reaction record
HRID 112329 reaction equation
HRID 112329As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes