3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)oxy]benzamide

C11H8IN3O3 — CID 114676141

IUPAC3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)oxy]benzamide
SMILESNC(=O)c1cccc(Oc2nc[nH]c(=O)c2I)c1
InChIInChI=1S/C11H8IN3O3/c12-8-10(17)14-5-15-11(8)18-7-3-1-2-6(4-7)9(13)16/h1-5H,(H2,13,16)(H,14,15,17)
InChIKeyQPWCRAMURDSOPD-UHFFFAOYSA-N
MW357.11 g/mol
LogP1.27
Rot. Bonds3

About 3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)oxy]benzamide

3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)oxy]benzamide (PubChem CID 114676141) has the molecular formula C11H8IN3O3 and a molecular weight of 357.11 g/mol. Its IUPAC name is 3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)oxy]benzamide.

Molecular Properties

Compound Name3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)oxy]benzamide
PubChem CID114676141
Molecular FormulaC11H8IN3O3
Molecular Weight357.11 g/mol
Exact Mass356.96
IUPAC Name3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)oxy]benzamide
SMILESNC(=O)c1cccc(Oc2nc[nH]c(=O)c2I)c1
InChIInChI=1S/C11H8IN3O3/c12-8-10(17)14-5-15-11(8)18-7-3-1-2-6(4-7)9(13)16/h1-5H,(H2,13,16)(H,14,15,17)
InChIKeyQPWCRAMURDSOPD-UHFFFAOYSA-N
XLogP1.27
TPSA98.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.11
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)oxy]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)oxy]benzoic acid
CID 114585606
3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)oxy]-5-methoxybenzamide
CID 103568127
5-iodo-4-(3-propan-2-ylphenoxy)-1H-pyrimidin-6-one
CID 114675961
5-iodo-4-naphthalen-2-yloxy-1H-pyrimidin-6-one
CID 114676042
4-(3-amino-4-methylphenoxy)-5-iodo-1H-pyrimidin-6-one
CID 114252553
2-(3-carbamoylphenoxy)pyridine-3-carboxylic acid
CID 24704749
3-[(3-bromo-5-chloro-2-pyridinyl)oxy]benzamide
CID 114837598
3-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)oxy]-5-methoxybenzamide
CID 103568121
4-(3-amino-2-bromophenoxy)-5-iodo-1H-pyrimidin-6-one
CID 114578870
4-[(5-chloro-3-pyridinyl)oxy]-5-iodo-1H-pyrimidin-6-one
CID 114676453
5-iodo-2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)oxy]benzoic acid
CID 107732466
4-(3-bromo-5-fluorophenoxy)-5-iodo-1H-pyrimidin-6-one
CID 114574406

Frequently Asked Questions

What is the IUPAC name of 3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)oxy]benzamide?
The IUPAC name of 3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)oxy]benzamide (CID 114676141) is 3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)oxy]benzamide.
What is the SMILES notation for 3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)oxy]benzamide?
The canonical SMILES for 3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)oxy]benzamide is NC(=O)c1cccc(Oc2nc[nH]c(=O)c2I)c1.
What is the InChIKey of 3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)oxy]benzamide?
The InChIKey is QPWCRAMURDSOPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8IN3O3/c12-8-10(17)14-5-15-11(8)18-7-3-1-2-6(4-7)9(13)16/h1-5H,(H2,13,16)(H,14,15,17).
What are the key properties of 3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)oxy]benzamide?
3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)oxy]benzamide has a molecular weight of 357.11 g/mol, XLogP of 1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)oxy]benzamide is sourced from PubChem (CID 114676141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).