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Molecule record

4-iodobenzamide

C7H6INO

247.03 g/mol

Loading structure

Molecular properties

Formula
C7H6INO
Molar mass
247.03 g·mol−1
Exact mass
246.9494 Da
5
PubChem CID
77561

Functional groups

Amide
Aromatic ring
Aryl halide
Primary amine

Physical properties

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

Common names and synonyms

  • 0-09-00-00367 (Beilstein Handbook Reference)
  • 3956-07-8
  • 4-Iodobenzamide, 97%
  • 4-iodanylbenzamide
  • 803-739-4
  • AKOS003634592
  • AS-17845
  • BRN 2079969
Show all 24 synonyms
  • Benzamide, 4-iodo-
  • Benzamide, p-iodo-
  • CS-W016701
  • DTXCID20115165
  • DTXSID80192674
  • E96ZLM2247
  • IJL
  • MFCD00143332
  • NSC-136972
  • NSC136972
  • RefChem:99454
  • SCHEMBL1490481
  • SCHEMBL1490483
  • STK361849
  • UNII-E96ZLM2247
  • p-Iodobenzamide

Structure identifiers

Canonical SMILES
NC(=O)c1ccc(I)cc1
Isomeric SMILES
C1=CC(=CC=C1C(=O)N)I
InChI
InChI=1S/C7H6INO/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H2,9,10)
InChIKey
XRNBLQCAFWFFPM-UHFFFAOYSA-N
PubChem CID
77561

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-iodobenzamide; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 4-iodobenzamide; 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