[2,3-diiodo-6-(phenylcarbamoyl)phenyl] hypoiodite

C13H8I3NO2 — CID 21127304

IUPAC[2,3-diiodo-6-(phenylcarbamoyl)phenyl] hypoiodite
SMILESO=C(Nc1ccccc1)c1ccc(I)c(I)c1OI
InChIInChI=1S/C13H8I3NO2/c14-10-7-6-9(12(19-16)11(10)15)13(18)17-8-4-2-1-3-5-8/h1-7H,(H,17,18)
InChIKeyDGVSRDBAJKZYJZ-UHFFFAOYSA-N
MW590.92 g/mol
LogP4.88
Rot. Bonds3

About [2,3-diiodo-6-(phenylcarbamoyl)phenyl] hypoiodite

[2,3-diiodo-6-(phenylcarbamoyl)phenyl] hypoiodite (PubChem CID 21127304) has the molecular formula C13H8I3NO2 and a molecular weight of 590.92 g/mol. Its IUPAC name is [2,3-diiodo-6-(phenylcarbamoyl)phenyl] hypoiodite.

Molecular Properties

Compound Name[2,3-diiodo-6-(phenylcarbamoyl)phenyl] hypoiodite
PubChem CID21127304
Molecular FormulaC13H8I3NO2
Molecular Weight590.92 g/mol
Exact Mass590.77
IUPAC Name[2,3-diiodo-6-(phenylcarbamoyl)phenyl] hypoiodite
SMILESO=C(Nc1ccccc1)c1ccc(I)c(I)c1OI
InChIInChI=1S/C13H8I3NO2/c14-10-7-6-9(12(19-16)11(10)15)13(18)17-8-4-2-1-3-5-8/h1-7H,(H,17,18)
InChIKeyDGVSRDBAJKZYJZ-UHFFFAOYSA-N
XLogP4.88
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500590.92
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-acetyl-N-phenylnaphthalene-1-carboxamide
CID 70204412
2-hydroxy-N-phenylbenzamide
CID 157209959
2-iodo-N-(4-phenoxyphenyl)benzamide
CID 1010138
1-N,2-N-bis(4-iodophenyl)benzene-1,2-dicarboxamide
CID 2852267
2-hydroxy-N-phenylbenzamide chloride
CID 19021936
4-(4-chlorophenoxy)-2-hydroxy-3,5-diiodo-N-phenylbenzamide
CID 22763234
2-iodo-N-(4-iodophenyl)benzamide
CID 3118704
2-naphthalen-1-ylperoxy-N-phenylbenzamide
CID 57106650
N-(4-anilinophenyl)-2-[(2-iodobenzoyl)amino]benzamide
CID 4941925
2-iodo-N-(4-phenylmethoxyphenyl)benzamide
CID 615692
ethane;2-hydroxy-N-phenylbenzamide
CID 54170056
2-(phenylcarbamoyl)benzenecarbothioic S-acid
CID 118007964

Frequently Asked Questions

What is the IUPAC name of [2,3-diiodo-6-(phenylcarbamoyl)phenyl] hypoiodite?
The IUPAC name of [2,3-diiodo-6-(phenylcarbamoyl)phenyl] hypoiodite (CID 21127304) is [2,3-diiodo-6-(phenylcarbamoyl)phenyl] hypoiodite.
What is the SMILES notation for [2,3-diiodo-6-(phenylcarbamoyl)phenyl] hypoiodite?
The canonical SMILES for [2,3-diiodo-6-(phenylcarbamoyl)phenyl] hypoiodite is O=C(Nc1ccccc1)c1ccc(I)c(I)c1OI.
What is the InChIKey of [2,3-diiodo-6-(phenylcarbamoyl)phenyl] hypoiodite?
The InChIKey is DGVSRDBAJKZYJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8I3NO2/c14-10-7-6-9(12(19-16)11(10)15)13(18)17-8-4-2-1-3-5-8/h1-7H,(H,17,18).
What are the key properties of [2,3-diiodo-6-(phenylcarbamoyl)phenyl] hypoiodite?
[2,3-diiodo-6-(phenylcarbamoyl)phenyl] hypoiodite has a molecular weight of 590.92 g/mol, XLogP of 4.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2,3-diiodo-6-(phenylcarbamoyl)phenyl] hypoiodite is sourced from PubChem (CID 21127304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).