3-formyl-2,4,5,6-tetraiodobenzamide

C8H3I4NO2 — CID 54050426

IUPAC3-formyl-2,4,5,6-tetraiodobenzamide
SMILESNC(=O)c1c(I)c(I)c(I)c(C=O)c1I
InChIInChI=1S/C8H3I4NO2/c9-4-2(1-14)5(10)7(12)6(11)3(4)8(13)15/h1H,(H2,13,15)
InChIKeyRXWYCWUWFKLKSQ-UHFFFAOYSA-N
MW652.73 g/mol
LogP3.02
Rot. Bonds2

About 3-formyl-2,4,5,6-tetraiodobenzamide

3-formyl-2,4,5,6-tetraiodobenzamide (PubChem CID 54050426) has the molecular formula C8H3I4NO2 and a molecular weight of 652.73 g/mol. Its IUPAC name is 3-formyl-2,4,5,6-tetraiodobenzamide.

Molecular Properties

Compound Name3-formyl-2,4,5,6-tetraiodobenzamide
PubChem CID54050426
Molecular FormulaC8H3I4NO2
Molecular Weight652.73 g/mol
Exact Mass652.63
IUPAC Name3-formyl-2,4,5,6-tetraiodobenzamide
SMILESNC(=O)c1c(I)c(I)c(I)c(C=O)c1I
InChIInChI=1S/C8H3I4NO2/c9-4-2(1-14)5(10)7(12)6(11)3(4)8(13)15/h1H,(H2,13,15)
InChIKeyRXWYCWUWFKLKSQ-UHFFFAOYSA-N
XLogP3.02
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500652.73
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-formyl-2,4,5,6-tetraiodobenzamide?
The IUPAC name of 3-formyl-2,4,5,6-tetraiodobenzamide (CID 54050426) is 3-formyl-2,4,5,6-tetraiodobenzamide.
What is the SMILES notation for 3-formyl-2,4,5,6-tetraiodobenzamide?
The canonical SMILES for 3-formyl-2,4,5,6-tetraiodobenzamide is NC(=O)c1c(I)c(I)c(I)c(C=O)c1I.
What is the InChIKey of 3-formyl-2,4,5,6-tetraiodobenzamide?
The InChIKey is RXWYCWUWFKLKSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3I4NO2/c9-4-2(1-14)5(10)7(12)6(11)3(4)8(13)15/h1H,(H2,13,15).
What are the key properties of 3-formyl-2,4,5,6-tetraiodobenzamide?
3-formyl-2,4,5,6-tetraiodobenzamide has a molecular weight of 652.73 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-formyl-2,4,5,6-tetraiodobenzamide is sourced from PubChem (CID 54050426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).