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

N-[2-(9-Oxo-9H-xanthen-3-yl)-phenyl]-acetamide

HCID 57725319
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(=O)Nc1ccccc1-c1ccc2c(=O)c3ccccc3oc2c1
InChIKey
WSBHJAMLMXVMPC-UHFFFAOYSA-N
Molecular formula
C21H15NO3
Average molar mass
329.3 g/mol
Monoisotopic mass
329.10519334

Names & identifiers

Preferred name
N-[2-(9-Oxo-9H-xanthen-3-yl)-phenyl]-acetamide
IUPAC
N-[2-(9-oxoxanthen-3-yl)phenyl]acetamide

Names & synonyms

SCHEMBL3965087WSBHJAMLMXVMPC-UHFFFAOYSA-NN-[2-(9-Oxo-9H-xanthen-3-yl)-phenyl]-acetamide

Database identifiers

PubChem CID
57725319

Properties

Computed structural properties

XLogP
3.8
Topological polar surface area
55.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
25
Formal charge
0
Complexity
519

Related reactions

2 records
New reaction record
HRID 168089 reaction equation
HRID 168089As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 1987934 reaction equation
HRID 1987934As productuspto-grants-2009_06

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes