2-(4-hydroxy-3-methoxyphenyl)-N-(2-iodophenyl)acetamide

C15H14INO3 — CID 22019613

IUPAC2-(4-hydroxy-3-methoxyphenyl)-N-(2-iodophenyl)acetamide
SMILESCOc1cc(CC(=O)Nc2ccccc2I)ccc1O
InChIInChI=1S/C15H14INO3/c1-20-14-8-10(6-7-13(14)18)9-15(19)17-12-5-3-2-4-11(12)16/h2-8,18H,9H2,1H3,(H,17,19)
InChIKeyMOXHTRCMZXBHCJ-UHFFFAOYSA-N
MW383.19 g/mol
LogP3.19
Rot. Bonds4

About 2-(4-hydroxy-3-methoxyphenyl)-N-(2-iodophenyl)acetamide

2-(4-hydroxy-3-methoxyphenyl)-N-(2-iodophenyl)acetamide (PubChem CID 22019613) has the molecular formula C15H14INO3 and a molecular weight of 383.19 g/mol. Its IUPAC name is 2-(4-hydroxy-3-methoxyphenyl)-N-(2-iodophenyl)acetamide.

Molecular Properties

Compound Name2-(4-hydroxy-3-methoxyphenyl)-N-(2-iodophenyl)acetamide
PubChem CID22019613
Molecular FormulaC15H14INO3
Molecular Weight383.19 g/mol
Exact Mass383.00
IUPAC Name2-(4-hydroxy-3-methoxyphenyl)-N-(2-iodophenyl)acetamide
SMILESCOc1cc(CC(=O)Nc2ccccc2I)ccc1O
InChIInChI=1S/C15H14INO3/c1-20-14-8-10(6-7-13(14)18)9-15(19)17-12-5-3-2-4-11(12)16/h2-8,18H,9H2,1H3,(H,17,19)
InChIKeyMOXHTRCMZXBHCJ-UHFFFAOYSA-N
XLogP3.19
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.19
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-hydroxy-3-methoxyphenyl)-N-(2-iodophenyl)acetamide?
The IUPAC name of 2-(4-hydroxy-3-methoxyphenyl)-N-(2-iodophenyl)acetamide (CID 22019613) is 2-(4-hydroxy-3-methoxyphenyl)-N-(2-iodophenyl)acetamide.
What is the SMILES notation for 2-(4-hydroxy-3-methoxyphenyl)-N-(2-iodophenyl)acetamide?
The canonical SMILES for 2-(4-hydroxy-3-methoxyphenyl)-N-(2-iodophenyl)acetamide is COc1cc(CC(=O)Nc2ccccc2I)ccc1O.
What is the InChIKey of 2-(4-hydroxy-3-methoxyphenyl)-N-(2-iodophenyl)acetamide?
The InChIKey is MOXHTRCMZXBHCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14INO3/c1-20-14-8-10(6-7-13(14)18)9-15(19)17-12-5-3-2-4-11(12)16/h2-8,18H,9H2,1H3,(H,17,19).
What are the key properties of 2-(4-hydroxy-3-methoxyphenyl)-N-(2-iodophenyl)acetamide?
2-(4-hydroxy-3-methoxyphenyl)-N-(2-iodophenyl)acetamide has a molecular weight of 383.19 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-3-methoxyphenyl)-N-(2-iodophenyl)acetamide is sourced from PubChem (CID 22019613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).