3-(2-hydroxyethoxy)-2-iodobenzamide

C9H10INO3 — CID 58242141

IUPAC3-(2-hydroxyethoxy)-2-iodobenzamide
SMILESNC(=O)c1cccc(OCCO)c1I
InChIInChI=1S/C9H10INO3/c10-8-6(9(11)13)2-1-3-7(8)14-5-4-12/h1-3,12H,4-5H2,(H2,11,13)
InChIKeyAMGGPUBOGWRCHK-UHFFFAOYSA-N
MW307.09 g/mol
LogP0.76
Rot. Bonds4

About 3-(2-hydroxyethoxy)-2-iodobenzamide

3-(2-hydroxyethoxy)-2-iodobenzamide (PubChem CID 58242141) has the molecular formula C9H10INO3 and a molecular weight of 307.09 g/mol. Its IUPAC name is 3-(2-hydroxyethoxy)-2-iodobenzamide.

Molecular Properties

Compound Name3-(2-hydroxyethoxy)-2-iodobenzamide
PubChem CID58242141
Molecular FormulaC9H10INO3
Molecular Weight307.09 g/mol
Exact Mass306.97
IUPAC Name3-(2-hydroxyethoxy)-2-iodobenzamide
SMILESNC(=O)c1cccc(OCCO)c1I
InChIInChI=1S/C9H10INO3/c10-8-6(9(11)13)2-1-3-7(8)14-5-4-12/h1-3,12H,4-5H2,(H2,11,13)
InChIKeyAMGGPUBOGWRCHK-UHFFFAOYSA-N
XLogP0.76
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.09
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-2-iodobenzamide
CID 70101113
2,6-bis(2-hydroxyethoxy)benzoic acid
CID 54256937
2-(3-amino-3-oxopropoxy)benzamide
CID 60713061
2,3-bis(2-methoxyethoxy)benzamide
CID 175291641
2-(2-hydroxyethoxy)-4-methylbenzamide
CID 67742497
3-amino-2-(6-hydroxyhexoxy)benzamide
CID 114011440
2-(4-amino-4-sulfanylidenebutoxy)benzamide
CID 24698755
2,3-diiodobenzene-1,4-dicarboxamide
CID 175130034
2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-methoxybenzamide
CID 162717798
2-[2-[3-(aminomethyl)phenoxy]ethoxy]benzamide
CID 43254266
2-amino-3-(3,3-dimethylbutoxy)benzamide
CID 115547344
2-ethyl-3-pentoxybenzamide
CID 67228177

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethoxy)-2-iodobenzamide?
The IUPAC name of 3-(2-hydroxyethoxy)-2-iodobenzamide (CID 58242141) is 3-(2-hydroxyethoxy)-2-iodobenzamide.
What is the SMILES notation for 3-(2-hydroxyethoxy)-2-iodobenzamide?
The canonical SMILES for 3-(2-hydroxyethoxy)-2-iodobenzamide is NC(=O)c1cccc(OCCO)c1I.
What is the InChIKey of 3-(2-hydroxyethoxy)-2-iodobenzamide?
The InChIKey is AMGGPUBOGWRCHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10INO3/c10-8-6(9(11)13)2-1-3-7(8)14-5-4-12/h1-3,12H,4-5H2,(H2,11,13).
What are the key properties of 3-(2-hydroxyethoxy)-2-iodobenzamide?
3-(2-hydroxyethoxy)-2-iodobenzamide has a molecular weight of 307.09 g/mol, XLogP of 0.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethoxy)-2-iodobenzamide is sourced from PubChem (CID 58242141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).