4-hydroxy-3,5-diiodobenzamide

C7H5I2NO2 — CID 633676

IUPAC4-hydroxy-3,5-diiodobenzamide
SMILESNC(=O)c1cc(I)c(O)c(I)c1
InChIInChI=1S/C7H5I2NO2/c8-4-1-3(7(10)12)2-5(9)6(4)11/h1-2,11H,(H2,10,12)
InChIKeyCTSGRORCMHYJRP-UHFFFAOYSA-N
MW388.93 g/mol
LogP1.70
Rot. Bonds1

About 4-hydroxy-3,5-diiodobenzamide

4-hydroxy-3,5-diiodobenzamide (PubChem CID 633676) has the molecular formula C7H5I2NO2 and a molecular weight of 388.93 g/mol. Its IUPAC name is 4-hydroxy-3,5-diiodobenzamide.

Molecular Properties

Compound Name4-hydroxy-3,5-diiodobenzamide
PubChem CID633676
Molecular FormulaC7H5I2NO2
Molecular Weight388.93 g/mol
Exact Mass388.84
IUPAC Name4-hydroxy-3,5-diiodobenzamide
SMILESNC(=O)c1cc(I)c(O)c(I)c1
InChIInChI=1S/C7H5I2NO2/c8-4-1-3(7(10)12)2-5(9)6(4)11/h1-2,11H,(H2,10,12)
InChIKeyCTSGRORCMHYJRP-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'}

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Related Compounds

4-Hydroxybenzoic acid hydrazide
CID 1742
3-Hydroxybenzamide
CID 342403
4-Hydroxybenzamide
CID 65052
P-Hydroxybenzohydroxamic acid
CID 269946
3,4-Dihydroxybenzamide
CID 148675
Benzamide, 4-hydroxy-N-methyl-
CID 119691
3,5-Ditert-butyl-4-hydroxybenzamide
CID 616502
Benzamide, 3,5-dipropyl-4-hydroxy-
CID 57661
Benzamide, 2-hydroxy-3,5-diiodo-
CID 205488
2-Hydroxy-3-iodobenzamide
CID 23161581
4-Hydroxy-3-(3-methylbut-2-enyl)benzamide
CID 102113939
3-Hydroxy-4-iodobenzamide
CID 24799921

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3,5-diiodobenzamide?
The IUPAC name of 4-hydroxy-3,5-diiodobenzamide (CID 633676) is 4-hydroxy-3,5-diiodobenzamide.
What is the SMILES notation for 4-hydroxy-3,5-diiodobenzamide?
The canonical SMILES for 4-hydroxy-3,5-diiodobenzamide is NC(=O)c1cc(I)c(O)c(I)c1.
What is the InChIKey of 4-hydroxy-3,5-diiodobenzamide?
The InChIKey is CTSGRORCMHYJRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5I2NO2/c8-4-1-3(7(10)12)2-5(9)6(4)11/h1-2,11H,(H2,10,12).
What are the key properties of 4-hydroxy-3,5-diiodobenzamide?
4-hydroxy-3,5-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 4-hydroxy-3,5-diiodobenzamide is sourced from PubChem (CID 633676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).