2-fluoro-N-(1H-imidazol-2-ylmethyl)-6-iodobenzamide

C11H9FIN3O — CID 71918640

IUPAC2-fluoro-N-(1H-imidazol-2-ylmethyl)-6-iodobenzamide
SMILESO=C(NCc1ncc[nH]1)c1c(F)cccc1I
InChIInChI=1S/C11H9FIN3O/c12-7-2-1-3-8(13)10(7)11(17)16-6-9-14-4-5-15-9/h1-5H,6H2,(H,14,15)(H,16,17)
InChIKeyURKSRYHGVSRNKB-UHFFFAOYSA-N
MW345.12 g/mol
LogP2.08
Rot. Bonds3

About 2-fluoro-N-(1H-imidazol-2-ylmethyl)-6-iodobenzamide

2-fluoro-N-(1H-imidazol-2-ylmethyl)-6-iodobenzamide (PubChem CID 71918640) has the molecular formula C11H9FIN3O and a molecular weight of 345.12 g/mol. Its IUPAC name is 2-fluoro-N-(1H-imidazol-2-ylmethyl)-6-iodobenzamide.

Molecular Properties

Compound Name2-fluoro-N-(1H-imidazol-2-ylmethyl)-6-iodobenzamide
PubChem CID71918640
Molecular FormulaC11H9FIN3O
Molecular Weight345.12 g/mol
Exact Mass344.98
IUPAC Name2-fluoro-N-(1H-imidazol-2-ylmethyl)-6-iodobenzamide
SMILESO=C(NCc1ncc[nH]1)c1c(F)cccc1I
InChIInChI=1S/C11H9FIN3O/c12-7-2-1-3-8(13)10(7)11(17)16-6-9-14-4-5-15-9/h1-5H,6H2,(H,14,15)(H,16,17)
InChIKeyURKSRYHGVSRNKB-UHFFFAOYSA-N
XLogP2.08
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.12
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-6-fluoro-N-(1H-imidazol-2-ylmethyl)-3-nitrobenzamide
CID 107123216
3-amino-N-(1H-imidazol-2-ylmethyl)-2-methylbenzamide
CID 64518946
2-fluoro-N-(1H-imidazol-2-ylmethyl)-5-nitrobenzamide
CID 64529688
2-fluoro-6-iodo-N-pent-3-enylbenzamide
CID 71918677
2-(2,6-difluorophenyl)-N-[2-(1H-imidazol-2-yl)ethyl]acetamide
CID 115686762
2,4,6-trifluoro-N-[2-(1H-imidazol-2-yl)ethyl]benzamide
CID 115668718
3-fluoro-N-[2-(1H-imidazol-2-yl)ethyl]benzamide
CID 115620189
6-hydrazinyl-N-(1H-imidazol-2-ylmethyl)pyridine-2-carboxamide
CID 64523807
2,6-difluoro-N-(1H-pyrrol-2-ylmethyl)benzamide
CID 110468489
3-(N'-hydroxycarbamimidoyl)-N-(1H-imidazol-2-ylmethyl)benzamide
CID 77046331
N-(1H-imidazol-2-ylmethyl)pyrimidine-5-carboxamide
CID 104628370
N-(1H-imidazol-2-ylmethyl)-2-pyridin-2-ylacetamide
CID 64529840

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(1H-imidazol-2-ylmethyl)-6-iodobenzamide?
The IUPAC name of 2-fluoro-N-(1H-imidazol-2-ylmethyl)-6-iodobenzamide (CID 71918640) is 2-fluoro-N-(1H-imidazol-2-ylmethyl)-6-iodobenzamide.
What is the SMILES notation for 2-fluoro-N-(1H-imidazol-2-ylmethyl)-6-iodobenzamide?
The canonical SMILES for 2-fluoro-N-(1H-imidazol-2-ylmethyl)-6-iodobenzamide is O=C(NCc1ncc[nH]1)c1c(F)cccc1I.
What is the InChIKey of 2-fluoro-N-(1H-imidazol-2-ylmethyl)-6-iodobenzamide?
The InChIKey is URKSRYHGVSRNKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FIN3O/c12-7-2-1-3-8(13)10(7)11(17)16-6-9-14-4-5-15-9/h1-5H,6H2,(H,14,15)(H,16,17).
What are the key properties of 2-fluoro-N-(1H-imidazol-2-ylmethyl)-6-iodobenzamide?
2-fluoro-N-(1H-imidazol-2-ylmethyl)-6-iodobenzamide has a molecular weight of 345.12 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(1H-imidazol-2-ylmethyl)-6-iodobenzamide is sourced from PubChem (CID 71918640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).