N-(3-fluoro-2-pyridinyl)-4-iodobenzamide

C12H8FIN2O — CID 118465276

IUPACN-(3-fluoro-2-pyridinyl)-4-iodobenzamide
SMILESO=C(Nc1ncccc1F)c1ccc(I)cc1
InChIInChI=1S/C12H8FIN2O/c13-10-2-1-7-15-11(10)16-12(17)8-3-5-9(14)6-4-8/h1-7H,(H,15,16,17)
InChIKeyLVJKMJRFBBTWCO-UHFFFAOYSA-N
MW342.11 g/mol
LogP3.08
Rot. Bonds2

About N-(3-fluoro-2-pyridinyl)-4-iodobenzamide

N-(3-fluoro-2-pyridinyl)-4-iodobenzamide (PubChem CID 118465276) has the molecular formula C12H8FIN2O and a molecular weight of 342.11 g/mol. Its IUPAC name is N-(3-fluoro-2-pyridinyl)-4-iodobenzamide.

Molecular Properties

Compound NameN-(3-fluoro-2-pyridinyl)-4-iodobenzamide
PubChem CID118465276
Molecular FormulaC12H8FIN2O
Molecular Weight342.11 g/mol
Exact Mass341.97
IUPAC NameN-(3-fluoro-2-pyridinyl)-4-iodobenzamide
SMILESO=C(Nc1ncccc1F)c1ccc(I)cc1
InChIInChI=1S/C12H8FIN2O/c13-10-2-1-7-15-11(10)16-12(17)8-3-5-9(14)6-4-8/h1-7H,(H,15,16,17)
InChIKeyLVJKMJRFBBTWCO-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'}

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Related Compounds

N-(3-fluoro-2-pyridinyl)-1,3-thiazole-4-carboxamide
CID 155658858
N-(3-fluoro-2-pyridinyl)propanamide
CID 130249129
2-[(4-chlorobenzoyl)amino]pyridine-3-carboxylic acid
CID 63654258
N-(3-hydroxy-2-pyridinyl)-4-methylbenzamide
CID 25342946
4-iodo-N-(2,3,4,5,6-pentafluorophenyl)benzamide
CID 78909417
N-(3-hydroxy-2-pyridinyl)pyridine-4-carboxamide
CID 30160671
N-(8-aminoquinolin-5-yl)-4-iodobenzamide
CID 104826395
4-fluoro-N-pyrimidin-2-ylbenzamide
CID 797393
2-[(3-fluoro-4-methylbenzoyl)amino]pyridine-3-carboxylic acid
CID 63653746
2-[(4-bromo-3-fluorobenzoyl)amino]pyridine-3-carboxylic acid
CID 63653566
2-[(3-bromo-4-fluorobenzoyl)amino]pyridine-3-carboxylic acid
CID 107949182
4-iodo-N-(2-methylsulfanylphenyl)benzamide
CID 2238716

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-2-pyridinyl)-4-iodobenzamide?
The IUPAC name of N-(3-fluoro-2-pyridinyl)-4-iodobenzamide (CID 118465276) is N-(3-fluoro-2-pyridinyl)-4-iodobenzamide.
What is the SMILES notation for N-(3-fluoro-2-pyridinyl)-4-iodobenzamide?
The canonical SMILES for N-(3-fluoro-2-pyridinyl)-4-iodobenzamide is O=C(Nc1ncccc1F)c1ccc(I)cc1.
What is the InChIKey of N-(3-fluoro-2-pyridinyl)-4-iodobenzamide?
The InChIKey is LVJKMJRFBBTWCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FIN2O/c13-10-2-1-7-15-11(10)16-12(17)8-3-5-9(14)6-4-8/h1-7H,(H,15,16,17).
What are the key properties of N-(3-fluoro-2-pyridinyl)-4-iodobenzamide?
N-(3-fluoro-2-pyridinyl)-4-iodobenzamide 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 N-(3-fluoro-2-pyridinyl)-4-iodobenzamide is sourced from PubChem (CID 118465276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).