4-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]-2-iodobenzamide

C12H11FIN3O — CID 113236144

IUPAC4-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]-2-iodobenzamide
SMILESO=C(NCCc1cnc[nH]1)c1ccc(F)cc1I
InChIInChI=1S/C12H11FIN3O/c13-8-1-2-10(11(14)5-8)12(18)16-4-3-9-6-15-7-17-9/h1-2,5-7H,3-4H2,(H,15,17)(H,16,18)
InChIKeySKNFGJGBRAXMBM-UHFFFAOYSA-N
MW359.14 g/mol
LogP2.13
Rot. Bonds4

About 4-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]-2-iodobenzamide

4-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]-2-iodobenzamide (PubChem CID 113236144) has the molecular formula C12H11FIN3O and a molecular weight of 359.14 g/mol. Its IUPAC name is 4-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]-2-iodobenzamide.

Molecular Properties

Compound Name4-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]-2-iodobenzamide
PubChem CID113236144
Molecular FormulaC12H11FIN3O
Molecular Weight359.14 g/mol
Exact Mass358.99
IUPAC Name4-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]-2-iodobenzamide
SMILESO=C(NCCc1cnc[nH]1)c1ccc(F)cc1I
InChIInChI=1S/C12H11FIN3O/c13-8-1-2-10(11(14)5-8)12(18)16-4-3-9-6-15-7-17-9/h1-2,5-7H,3-4H2,(H,15,17)(H,16,18)
InChIKeySKNFGJGBRAXMBM-UHFFFAOYSA-N
XLogP2.13
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.14
LogP ≤ 52.13
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 4-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]-2-iodobenzamide?
The IUPAC name of 4-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]-2-iodobenzamide (CID 113236144) is 4-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]-2-iodobenzamide.
What is the SMILES notation for 4-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]-2-iodobenzamide?
The canonical SMILES for 4-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]-2-iodobenzamide is O=C(NCCc1cnc[nH]1)c1ccc(F)cc1I.
What is the InChIKey of 4-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]-2-iodobenzamide?
The InChIKey is SKNFGJGBRAXMBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FIN3O/c13-8-1-2-10(11(14)5-8)12(18)16-4-3-9-6-15-7-17-9/h1-2,5-7H,3-4H2,(H,15,17)(H,16,18).
What are the key properties of 4-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]-2-iodobenzamide?
4-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]-2-iodobenzamide has a molecular weight of 359.14 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]-2-iodobenzamide is sourced from PubChem (CID 113236144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).