2-hydroxy-3,5-diiodo-N-methoxybenzamide

C8H7I2NO3 — CID 60717158

IUPAC2-hydroxy-3,5-diiodo-N-methoxybenzamide
SMILESCONC(=O)c1cc(I)cc(I)c1O
InChIInChI=1S/C8H7I2NO3/c1-14-11-8(13)5-2-4(9)3-6(10)7(5)12/h2-3,12H,1H3,(H,11,13)
InChIKeyQPSQGVWQNXBVBO-UHFFFAOYSA-N
MW418.96 g/mol
LogP1.89
Rot. Bonds2

About 2-hydroxy-3,5-diiodo-N-methoxybenzamide

2-hydroxy-3,5-diiodo-N-methoxybenzamide (PubChem CID 60717158) has the molecular formula C8H7I2NO3 and a molecular weight of 418.96 g/mol. Its IUPAC name is 2-hydroxy-3,5-diiodo-N-methoxybenzamide.

Molecular Properties

Compound Name2-hydroxy-3,5-diiodo-N-methoxybenzamide
PubChem CID60717158
Molecular FormulaC8H7I2NO3
Molecular Weight418.96 g/mol
Exact Mass418.85
IUPAC Name2-hydroxy-3,5-diiodo-N-methoxybenzamide
SMILESCONC(=O)c1cc(I)cc(I)c1O
InChIInChI=1S/C8H7I2NO3/c1-14-11-8(13)5-2-4(9)3-6(10)7(5)12/h2-3,12H,1H3,(H,11,13)
InChIKeyQPSQGVWQNXBVBO-UHFFFAOYSA-N
XLogP1.89
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.96
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethoxy-2-hydroxy-3,5-diiodobenzamide
CID 60717182
methyl 2-hydroxy-3,5-diiodobenzoate
CID 3695482
2-hydroxy-3,5-diiodo-N-(2-methylprop-2-enyl)benzamide
CID 114619036
4-[(2-hydroxy-3,5-diiodobenzoyl)amino]-3-methoxybutanoic acid
CID 103153358
potassium 2-hydroxy-3,5-diiodobenzoate
CID 23716296
2-hydroxy-N-[(2S)-1-hydroxybutan-2-yl]-3,5-diiodobenzamide
CID 93041920
4-[(2-hydroxy-3,5-diiodobenzoyl)amino]-2-methylbutanoic acid
CID 80538597
copper 2,4,6-triiodophenol
CID 54602337
2-hydroxy-N-(4-hydroxycyclohexyl)-3,5-diiodobenzamide
CID 43388711
2-hydroxy-N-(3-hydroxy-2,2-dimethylcyclobutyl)-3,5-diiodobenzamide
CID 114630704
2-hydroxy-3,5-diiodo-N-(4-phenylphenyl)benzamide
CID 90645537
N-(5-chloro-2-fluorophenyl)-2-hydroxy-3,5-diiodobenzamide
CID 11998244

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3,5-diiodo-N-methoxybenzamide?
The IUPAC name of 2-hydroxy-3,5-diiodo-N-methoxybenzamide (CID 60717158) is 2-hydroxy-3,5-diiodo-N-methoxybenzamide.
What is the SMILES notation for 2-hydroxy-3,5-diiodo-N-methoxybenzamide?
The canonical SMILES for 2-hydroxy-3,5-diiodo-N-methoxybenzamide is CONC(=O)c1cc(I)cc(I)c1O.
What is the InChIKey of 2-hydroxy-3,5-diiodo-N-methoxybenzamide?
The InChIKey is QPSQGVWQNXBVBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7I2NO3/c1-14-11-8(13)5-2-4(9)3-6(10)7(5)12/h2-3,12H,1H3,(H,11,13).
What are the key properties of 2-hydroxy-3,5-diiodo-N-methoxybenzamide?
2-hydroxy-3,5-diiodo-N-methoxybenzamide has a molecular weight of 418.96 g/mol, XLogP of 1.89, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3,5-diiodo-N-methoxybenzamide is sourced from PubChem (CID 60717158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).