2-(5-iodopyrimidin-2-yl)oxybenzamide

C11H8IN3O2 — CID 116649139

IUPAC2-(5-iodopyrimidin-2-yl)oxybenzamide
SMILESNC(=O)c1ccccc1Oc1ncc(I)cn1
InChIInChI=1S/C11H8IN3O2/c12-7-5-14-11(15-6-7)17-9-4-2-1-3-8(9)10(13)16/h1-6H,(H2,13,16)
InChIKeyFFMYPGIWWVVWOH-UHFFFAOYSA-N
MW341.11 g/mol
LogP1.97
Rot. Bonds3

About 2-(5-iodopyrimidin-2-yl)oxybenzamide

2-(5-iodopyrimidin-2-yl)oxybenzamide (PubChem CID 116649139) has the molecular formula C11H8IN3O2 and a molecular weight of 341.11 g/mol. Its IUPAC name is 2-(5-iodopyrimidin-2-yl)oxybenzamide.

Molecular Properties

Compound Name2-(5-iodopyrimidin-2-yl)oxybenzamide
PubChem CID116649139
Molecular FormulaC11H8IN3O2
Molecular Weight341.11 g/mol
Exact Mass340.97
IUPAC Name2-(5-iodopyrimidin-2-yl)oxybenzamide
SMILESNC(=O)c1ccccc1Oc1ncc(I)cn1
InChIInChI=1S/C11H8IN3O2/c12-7-5-14-11(15-6-7)17-9-4-2-1-3-8(9)10(13)16/h1-6H,(H2,13,16)
InChIKeyFFMYPGIWWVVWOH-UHFFFAOYSA-N
XLogP1.97
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.11
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(5-formylpyrimidin-2-yl)oxybenzamide
CID 113387686
2-(3-aminoquinolin-4-yl)oxybenzamide
CID 103963644
5-chloro-2-(5-iodopyrimidin-2-yl)oxybenzoic acid
CID 116649327
(2-carbamoylphenyl) hydrogen carbonate
CID 91199327
2-(1H-1,2,4-triazol-5-yloxy)benzamide
CID 150824646
2-(5-bromo-2-chloropyrimidin-4-yl)oxybenzamide
CID 79076427
3-(2-carbamoylphenoxy)pyridine-4-carboxylic acid
CID 105062501
2-(2-carbamoylphenoxy)-5-chloropyridine-4-carboxylic acid
CID 114916832
2-[2-(hydroxymethyl)phenoxy]benzamide
CID 28945887
2-(6-chloro-5-methylpyrimidin-4-yl)oxybenzamide
CID 63734333
2-(fluoromethoxy)benzamide;hydrochloride
CID 141068067
N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-2-iodobenzamide
CID 122303200

Frequently Asked Questions

What is the IUPAC name of 2-(5-iodopyrimidin-2-yl)oxybenzamide?
The IUPAC name of 2-(5-iodopyrimidin-2-yl)oxybenzamide (CID 116649139) is 2-(5-iodopyrimidin-2-yl)oxybenzamide.
What is the SMILES notation for 2-(5-iodopyrimidin-2-yl)oxybenzamide?
The canonical SMILES for 2-(5-iodopyrimidin-2-yl)oxybenzamide is NC(=O)c1ccccc1Oc1ncc(I)cn1.
What is the InChIKey of 2-(5-iodopyrimidin-2-yl)oxybenzamide?
The InChIKey is FFMYPGIWWVVWOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8IN3O2/c12-7-5-14-11(15-6-7)17-9-4-2-1-3-8(9)10(13)16/h1-6H,(H2,13,16).
What are the key properties of 2-(5-iodopyrimidin-2-yl)oxybenzamide?
2-(5-iodopyrimidin-2-yl)oxybenzamide has a molecular weight of 341.11 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-iodopyrimidin-2-yl)oxybenzamide is sourced from PubChem (CID 116649139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).