2-(4-iodophenoxy)-N-methylacetamide

C9H10INO2 — CID 32889146

IUPAC2-(4-iodophenoxy)-N-methylacetamide
SMILESCNC(=O)COc1ccc(I)cc1
InChIInChI=1S/C9H10INO2/c1-11-9(12)6-13-8-4-2-7(10)3-5-8/h2-5H,6H2,1H3,(H,11,12)
InChIKeyJJQHBPYOBHIBTK-UHFFFAOYSA-N
MW291.09 g/mol
LogP1.42
Rot. Bonds3

About 2-(4-iodophenoxy)-N-methylacetamide

2-(4-iodophenoxy)-N-methylacetamide (PubChem CID 32889146) has the molecular formula C9H10INO2 and a molecular weight of 291.09 g/mol. Its IUPAC name is 2-(4-iodophenoxy)-N-methylacetamide.

Molecular Properties

Compound Name2-(4-iodophenoxy)-N-methylacetamide
PubChem CID32889146
Molecular FormulaC9H10INO2
Molecular Weight291.09 g/mol
Exact Mass290.98
IUPAC Name2-(4-iodophenoxy)-N-methylacetamide
SMILESCNC(=O)COc1ccc(I)cc1
InChIInChI=1S/C9H10INO2/c1-11-9(12)6-13-8-4-2-7(10)3-5-8/h2-5H,6H2,1H3,(H,11,12)
InChIKeyJJQHBPYOBHIBTK-UHFFFAOYSA-N
XLogP1.42
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.09
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-iodophenoxy)-N-methylacetamide?
The IUPAC name of 2-(4-iodophenoxy)-N-methylacetamide (CID 32889146) is 2-(4-iodophenoxy)-N-methylacetamide.
What is the SMILES notation for 2-(4-iodophenoxy)-N-methylacetamide?
The canonical SMILES for 2-(4-iodophenoxy)-N-methylacetamide is CNC(=O)COc1ccc(I)cc1.
What is the InChIKey of 2-(4-iodophenoxy)-N-methylacetamide?
The InChIKey is JJQHBPYOBHIBTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10INO2/c1-11-9(12)6-13-8-4-2-7(10)3-5-8/h2-5H,6H2,1H3,(H,11,12).
What are the key properties of 2-(4-iodophenoxy)-N-methylacetamide?
2-(4-iodophenoxy)-N-methylacetamide has a molecular weight of 291.09 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-iodophenoxy)-N-methylacetamide is sourced from PubChem (CID 32889146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).