3-fluoro-N-(5-iodo-2-pyridinyl)benzamide

C12H8FIN2O — CID 2995016

IUPAC3-fluoro-N-(5-iodo-2-pyridinyl)benzamide
SMILESO=C(Nc1ccc(I)cn1)c1cccc(F)c1
InChIInChI=1S/C12H8FIN2O/c13-9-3-1-2-8(6-9)12(17)16-11-5-4-10(14)7-15-11/h1-7H,(H,15,16,17)
InChIKeyPEZBITNWNCFBLF-UHFFFAOYSA-N
MW342.11 g/mol
LogP3.08
Rot. Bonds2

About 3-fluoro-N-(5-iodo-2-pyridinyl)benzamide

3-fluoro-N-(5-iodo-2-pyridinyl)benzamide (PubChem CID 2995016) has the molecular formula C12H8FIN2O and a molecular weight of 342.11 g/mol. Its IUPAC name is 3-fluoro-N-(5-iodo-2-pyridinyl)benzamide.

Molecular Properties

Compound Name3-fluoro-N-(5-iodo-2-pyridinyl)benzamide
PubChem CID2995016
Molecular FormulaC12H8FIN2O
Molecular Weight342.11 g/mol
Exact Mass341.97
IUPAC Name3-fluoro-N-(5-iodo-2-pyridinyl)benzamide
SMILESO=C(Nc1ccc(I)cn1)c1cccc(F)c1
InChIInChI=1S/C12H8FIN2O/c13-9-3-1-2-8(6-9)12(17)16-11-5-4-10(14)7-15-11/h1-7H,(H,15,16,17)
InChIKeyPEZBITNWNCFBLF-UHFFFAOYSA-N
XLogP3.08
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.11
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-fluoro-N-(5-iodo-2-pyridinyl)benzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(5-iodo-2-pyridinyl)benzamide?
The IUPAC name of 3-fluoro-N-(5-iodo-2-pyridinyl)benzamide (CID 2995016) is 3-fluoro-N-(5-iodo-2-pyridinyl)benzamide.
What is the SMILES notation for 3-fluoro-N-(5-iodo-2-pyridinyl)benzamide?
The canonical SMILES for 3-fluoro-N-(5-iodo-2-pyridinyl)benzamide is O=C(Nc1ccc(I)cn1)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-(5-iodo-2-pyridinyl)benzamide?
The InChIKey is PEZBITNWNCFBLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FIN2O/c13-9-3-1-2-8(6-9)12(17)16-11-5-4-10(14)7-15-11/h1-7H,(H,15,16,17).
What are the key properties of 3-fluoro-N-(5-iodo-2-pyridinyl)benzamide?
3-fluoro-N-(5-iodo-2-pyridinyl)benzamide has a molecular weight of 342.11 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(5-iodo-2-pyridinyl)benzamide is sourced from PubChem (CID 2995016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).