2,3-diiodobenzene-1,4-dicarboxamide

C8H6I2N2O2 — CID 175130034

IUPAC2,3-diiodobenzene-1,4-dicarboxamide
SMILESNC(=O)c1ccc(C(N)=O)c(I)c1I
InChIInChI=1S/C8H6I2N2O2/c9-5-3(7(11)13)1-2-4(6(5)10)8(12)14/h1-2H,(H2,11,13)(H2,12,14)
InChIKeyMCYKMTXGUDUTCZ-UHFFFAOYSA-N
MW415.96 g/mol
LogP1.09
Rot. Bonds2

About 2,3-diiodobenzene-1,4-dicarboxamide

2,3-diiodobenzene-1,4-dicarboxamide (PubChem CID 175130034) has the molecular formula C8H6I2N2O2 and a molecular weight of 415.96 g/mol. Its IUPAC name is 2,3-diiodobenzene-1,4-dicarboxamide.

Molecular Properties

Compound Name2,3-diiodobenzene-1,4-dicarboxamide
PubChem CID175130034
Molecular FormulaC8H6I2N2O2
Molecular Weight415.96 g/mol
Exact Mass415.85
IUPAC Name2,3-diiodobenzene-1,4-dicarboxamide
SMILESNC(=O)c1ccc(C(N)=O)c(I)c1I
InChIInChI=1S/C8H6I2N2O2/c9-5-3(7(11)13)1-2-4(6(5)10)8(12)14/h1-2H,(H2,11,13)(H2,12,14)
InChIKeyMCYKMTXGUDUTCZ-UHFFFAOYSA-N
XLogP1.09
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.96
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3-diiodobenzene-1,4-dicarboxamide?
The IUPAC name of 2,3-diiodobenzene-1,4-dicarboxamide (CID 175130034) is 2,3-diiodobenzene-1,4-dicarboxamide.
What is the SMILES notation for 2,3-diiodobenzene-1,4-dicarboxamide?
The canonical SMILES for 2,3-diiodobenzene-1,4-dicarboxamide is NC(=O)c1ccc(C(N)=O)c(I)c1I.
What is the InChIKey of 2,3-diiodobenzene-1,4-dicarboxamide?
The InChIKey is MCYKMTXGUDUTCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6I2N2O2/c9-5-3(7(11)13)1-2-4(6(5)10)8(12)14/h1-2H,(H2,11,13)(H2,12,14).
What are the key properties of 2,3-diiodobenzene-1,4-dicarboxamide?
2,3-diiodobenzene-1,4-dicarboxamide has a molecular weight of 415.96 g/mol, XLogP of 1.09, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diiodobenzene-1,4-dicarboxamide is sourced from PubChem (CID 175130034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).