[2-(acetylcarbamoyl)-4-hydroxyphenyl] hypoiodite

C9H8INO4 — CID 174307517

IUPAC[2-(acetylcarbamoyl)-4-hydroxyphenyl] hypoiodite
SMILESCC(=O)NC(=O)c1cc(O)ccc1OI
InChIInChI=1S/C9H8INO4/c1-5(12)11-9(14)7-4-6(13)2-3-8(7)15-10/h2-4,13H,1H3,(H,11,12,14)
InChIKeyRRPYYAZEHADBFY-UHFFFAOYSA-N
MW321.07 g/mol
LogP1.40
Rot. Bonds2

About [2-(acetylcarbamoyl)-4-hydroxyphenyl] hypoiodite

[2-(acetylcarbamoyl)-4-hydroxyphenyl] hypoiodite (PubChem CID 174307517) has the molecular formula C9H8INO4 and a molecular weight of 321.07 g/mol. Its IUPAC name is [2-(acetylcarbamoyl)-4-hydroxyphenyl] hypoiodite.

Molecular Properties

Compound Name[2-(acetylcarbamoyl)-4-hydroxyphenyl] hypoiodite
PubChem CID174307517
Molecular FormulaC9H8INO4
Molecular Weight321.07 g/mol
Exact Mass320.95
IUPAC Name[2-(acetylcarbamoyl)-4-hydroxyphenyl] hypoiodite
SMILESCC(=O)NC(=O)c1cc(O)ccc1OI
InChIInChI=1S/C9H8INO4/c1-5(12)11-9(14)7-4-6(13)2-3-8(7)15-10/h2-4,13H,1H3,(H,11,12,14)
InChIKeyRRPYYAZEHADBFY-UHFFFAOYSA-N
XLogP1.40
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.07
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-(acetylcarbamoyl)-4-octadecylphenyl] hypoiodite
CID 174418841
N-(2,5-dihydroxybenzoyl)-2,5-dihydroxybenzamide
CID 91463347
2-(5-hydroxy-2-iodooxyphenyl)acetic acid
CID 174312460
N-acetyl-4-bromo-2-methoxybenzamide
CID 115369201
[2-(acetylcarbamoyl)phenyl] acetate
CID 12538006
methyl 5-amino-2-iodooxybenzoate
CID 170212136
2-hydroperoxy-5-hydroxybenzoic acid
CID 19099205
methyl 5-hydroxy-2-(4-hydroxy-2-methoxycarbonylphenyl)benzoate
CID 132546246
N-(4-hydroxyphenyl)-2,5-dimethoxybenzamide
CID 48824493
[2-(acetylcarbamoyl)-6-prop-2-ynylphenyl] hypoiodite
CID 174311035
N-(4-acetamidophenyl)-2-amino-5-hydroxybenzamide
CID 107073912
N-acetyl-2-fluoro-5-methylbenzamide
CID 62511698

Frequently Asked Questions

What is the IUPAC name of [2-(acetylcarbamoyl)-4-hydroxyphenyl] hypoiodite?
The IUPAC name of [2-(acetylcarbamoyl)-4-hydroxyphenyl] hypoiodite (CID 174307517) is [2-(acetylcarbamoyl)-4-hydroxyphenyl] hypoiodite.
What is the SMILES notation for [2-(acetylcarbamoyl)-4-hydroxyphenyl] hypoiodite?
The canonical SMILES for [2-(acetylcarbamoyl)-4-hydroxyphenyl] hypoiodite is CC(=O)NC(=O)c1cc(O)ccc1OI.
What is the InChIKey of [2-(acetylcarbamoyl)-4-hydroxyphenyl] hypoiodite?
The InChIKey is RRPYYAZEHADBFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8INO4/c1-5(12)11-9(14)7-4-6(13)2-3-8(7)15-10/h2-4,13H,1H3,(H,11,12,14).
What are the key properties of [2-(acetylcarbamoyl)-4-hydroxyphenyl] hypoiodite?
[2-(acetylcarbamoyl)-4-hydroxyphenyl] hypoiodite has a molecular weight of 321.07 g/mol, XLogP of 1.40, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(acetylcarbamoyl)-4-hydroxyphenyl] hypoiodite is sourced from PubChem (CID 174307517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).