3-hydroxy-2,5-diiodobenzamide

C7H5I2NO2 — CID 119020425

IUPAC3-hydroxy-2,5-diiodobenzamide
SMILESNC(=O)c1cc(I)cc(O)c1I
InChIInChI=1S/C7H5I2NO2/c8-3-1-4(7(10)12)6(9)5(11)2-3/h1-2,11H,(H2,10,12)
InChIKeyDKHNSMDJNZJPRJ-UHFFFAOYSA-N
MW388.93 g/mol
LogP1.70
Rot. Bonds1

About 3-hydroxy-2,5-diiodobenzamide

3-hydroxy-2,5-diiodobenzamide (PubChem CID 119020425) has the molecular formula C7H5I2NO2 and a molecular weight of 388.93 g/mol. Its IUPAC name is 3-hydroxy-2,5-diiodobenzamide.

Molecular Properties

Compound Name3-hydroxy-2,5-diiodobenzamide
PubChem CID119020425
Molecular FormulaC7H5I2NO2
Molecular Weight388.93 g/mol
Exact Mass388.84
IUPAC Name3-hydroxy-2,5-diiodobenzamide
SMILESNC(=O)c1cc(I)cc(O)c1I
InChIInChI=1S/C7H5I2NO2/c8-3-1-4(7(10)12)6(9)5(11)2-3/h1-2,11H,(H2,10,12)
InChIKeyDKHNSMDJNZJPRJ-UHFFFAOYSA-N
XLogP1.70
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.93
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-hydroxy-2,5-diiodobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2,5-diiodobenzamide?
The IUPAC name of 3-hydroxy-2,5-diiodobenzamide (CID 119020425) is 3-hydroxy-2,5-diiodobenzamide.
What is the SMILES notation for 3-hydroxy-2,5-diiodobenzamide?
The canonical SMILES for 3-hydroxy-2,5-diiodobenzamide is NC(=O)c1cc(I)cc(O)c1I.
What is the InChIKey of 3-hydroxy-2,5-diiodobenzamide?
The InChIKey is DKHNSMDJNZJPRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5I2NO2/c8-3-1-4(7(10)12)6(9)5(11)2-3/h1-2,11H,(H2,10,12).
What are the key properties of 3-hydroxy-2,5-diiodobenzamide?
3-hydroxy-2,5-diiodobenzamide has a molecular weight of 388.93 g/mol, XLogP of 1.70, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2,5-diiodobenzamide is sourced from PubChem (CID 119020425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).