HomeMCPWorkbenchSkills
HomeWorkbenchNotificationsMe
llms.txt · MCP GuidePrivacy Policy · Terms of Service · Supportv1.8.0
  1. Home
  2. /Compound

N-(2-allyl-4-fluoro-phenyl)-acrylamide

HCID 57779791
New noteNew reactionRequest quotes
Print preview
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
C=CCc1cc(F)ccc1NC(=O)C=C
InChIKey
QQBJKGBZDUVYDV-UHFFFAOYSA-N
Molecular formula
C12H12FNO
Average molar mass
205.23 g/mol

Names & identifiers

Preferred name
N-(2-allyl-4-fluoro-phenyl)-acrylamide
IUPAC
N-(4-fluoro-2-prop-2-enylphenyl)prop-2-enamide

Names & synonyms

SCHEMBL1269021QQBJKGBZDUVYDV-UHFFFAOYSA-NN-(2-allyl-4-fluoro-phenyl)-acrylamide

Database identifiers

PubChem CID
57779791
Nikkaji
J2.972.919K

Properties

Computed structural properties

XLogP
2.5
Topological polar surface area
29.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
4
Heavy atoms
15
Formal charge
0
Complexity
252

Related reactions

4 records
New reaction record
HRID 96590 reaction equation
HRID 96590As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 1364199 reaction equation
HRID 1364199As productuspto-grants-2011_02
HRID 1364200 reaction equation
HRID 1364200As reactantuspto-grants-2011_02
HRID 1569296 reaction equation
HRID 1569296As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes
More actions
New noteNew reactionRequest quotes