2-[4-(hydroxymethyl)-2-iodophenyl]acetamide

C9H10INO2 — CID 23106503

IUPAC2-[4-(hydroxymethyl)-2-iodophenyl]acetamide
SMILESNC(=O)Cc1ccc(CO)cc1I
InChIInChI=1S/C9H10INO2/c10-8-3-6(5-12)1-2-7(8)4-9(11)13/h1-3,12H,4-5H2,(H2,11,13)
InChIKeyCKUSLROOHLENDG-UHFFFAOYSA-N
MW291.09 g/mol
LogP0.81
Rot. Bonds3

About 2-[4-(hydroxymethyl)-2-iodophenyl]acetamide

2-[4-(hydroxymethyl)-2-iodophenyl]acetamide (PubChem CID 23106503) has the molecular formula C9H10INO2 and a molecular weight of 291.09 g/mol. Its IUPAC name is 2-[4-(hydroxymethyl)-2-iodophenyl]acetamide.

Molecular Properties

Compound Name2-[4-(hydroxymethyl)-2-iodophenyl]acetamide
PubChem CID23106503
Molecular FormulaC9H10INO2
Molecular Weight291.09 g/mol
Exact Mass290.98
IUPAC Name2-[4-(hydroxymethyl)-2-iodophenyl]acetamide
SMILESNC(=O)Cc1ccc(CO)cc1I
InChIInChI=1S/C9H10INO2/c10-8-3-6(5-12)1-2-7(8)4-9(11)13/h1-3,12H,4-5H2,(H2,11,13)
InChIKeyCKUSLROOHLENDG-UHFFFAOYSA-N
XLogP0.81
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.09
LogP ≤ 50.81
H-Bond Donors ≤ 52
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-(hydroxymethyl)-2-iodophenyl]acetamide?
The IUPAC name of 2-[4-(hydroxymethyl)-2-iodophenyl]acetamide (CID 23106503) is 2-[4-(hydroxymethyl)-2-iodophenyl]acetamide.
What is the SMILES notation for 2-[4-(hydroxymethyl)-2-iodophenyl]acetamide?
The canonical SMILES for 2-[4-(hydroxymethyl)-2-iodophenyl]acetamide is NC(=O)Cc1ccc(CO)cc1I.
What is the InChIKey of 2-[4-(hydroxymethyl)-2-iodophenyl]acetamide?
The InChIKey is CKUSLROOHLENDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10INO2/c10-8-3-6(5-12)1-2-7(8)4-9(11)13/h1-3,12H,4-5H2,(H2,11,13).
What are the key properties of 2-[4-(hydroxymethyl)-2-iodophenyl]acetamide?
2-[4-(hydroxymethyl)-2-iodophenyl]acetamide has a molecular weight of 291.09 g/mol, XLogP of 0.81, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(hydroxymethyl)-2-iodophenyl]acetamide is sourced from PubChem (CID 23106503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).