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Molecule record

4-cyanobenzamide

C8H6N2O

146.15 g/mol

Loading structure

Molecular properties

Formula
C8H6N2O
Molar mass
146.15 g·mol−1
Exact mass
146.0480 Da
7
PubChem CID
76427

Functional groups

Amide
Aromatic ring
Nitrile
Primary amine

Physical properties

No source-backed physical properties are curated for this molecule yet.

Common names and synonyms

  • 221-223-1
  • 3034-34-2
  • 3P9UG7V78S
  • 4-09-00-03327 (Beilstein Handbook Reference)
  • 4-Cyano-benzamide
  • BRN 2043265
  • Benzamide, 4-cyano-
  • Benzamide, p-cyano-
Show all 24 synonyms
  • Benzamide, p-cyano-(8CI)
  • C1594
  • CS-0206293
  • DTXCID00106915
  • DTXSID90184424
  • EINECS 221-223-1
  • EN300-26980
  • MFCD00017133
  • RS-1015
  • RefChem:858044
  • SCHEMBL322070
  • UNII-3P9UG7V78S
  • Z33546655
  • p-Cyanobenzamide
  • p-cyano benzamide
  • p-cyanobenzoic acid amide

Structure identifiers

Canonical SMILES
N#Cc1ccc(C(N)=O)cc1
Isomeric SMILES
C1=CC(=CC=C1C#N)C(=O)N
InChI
InChI=1S/C8H6N2O/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4H,(H2,10,11)
InChIKey
FUKWTMJZHKZKFA-UHFFFAOYSA-N
PubChem CID
76427

Spectroscopy

Tabs appear only for spectra stored with clear provenance.

Open library
No redistributable or simulated spectroscopy record is attached yet.

Simulated NMR

On-demand educational prediction for 4-cyanobenzamide; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 4-cyanobenzamide; not experimental data.

Sources

Molecule identity

Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.

PubChem(link only)
Open source record