2-bromo-N-(5-fluoro-3-pyridinyl)-5-iodobenzamide

C12H7BrFIN2O — CID 114217625

IUPAC2-bromo-N-(5-fluoro-3-pyridinyl)-5-iodobenzamide
SMILESO=C(Nc1cncc(F)c1)c1cc(I)ccc1Br
InChIInChI=1S/C12H7BrFIN2O/c13-11-2-1-8(15)4-10(11)12(18)17-9-3-7(14)5-16-6-9/h1-6H,(H,17,18)
InChIKeyMFHCLELWEAEYRZ-UHFFFAOYSA-N
MW421.01 g/mol
LogP3.84
Rot. Bonds2

About 2-bromo-N-(5-fluoro-3-pyridinyl)-5-iodobenzamide

2-bromo-N-(5-fluoro-3-pyridinyl)-5-iodobenzamide (PubChem CID 114217625) has the molecular formula C12H7BrFIN2O and a molecular weight of 421.01 g/mol. Its IUPAC name is 2-bromo-N-(5-fluoro-3-pyridinyl)-5-iodobenzamide.

Molecular Properties

Compound Name2-bromo-N-(5-fluoro-3-pyridinyl)-5-iodobenzamide
PubChem CID114217625
Molecular FormulaC12H7BrFIN2O
Molecular Weight421.01 g/mol
Exact Mass419.88
IUPAC Name2-bromo-N-(5-fluoro-3-pyridinyl)-5-iodobenzamide
SMILESO=C(Nc1cncc(F)c1)c1cc(I)ccc1Br
InChIInChI=1S/C12H7BrFIN2O/c13-11-2-1-8(15)4-10(11)12(18)17-9-3-7(14)5-16-6-9/h1-6H,(H,17,18)
InChIKeyMFHCLELWEAEYRZ-UHFFFAOYSA-N
XLogP3.84
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.01
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-bromo-N-(5-fluoro-3-pyridinyl)-5-iodobenzamide 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

2-bromo-5-fluoro-N-pyridin-4-ylbenzamide
CID 24689645
2-amino-3-fluoro-N-(5-fluoro-3-pyridinyl)benzamide
CID 114253904
2-bromo-N-(2-chloro-4-fluorophenyl)-5-iodobenzamide
CID 114027522
2-bromo-5-iodo-N-(2-methyl-4-pyridinyl)benzamide
CID 103993823
2-bromo-5-fluoro-N-pyridin-3-ylbenzamide
CID 24699857
2-bromo-N-(5-bromo-2-pyridinyl)-5-iodobenzamide
CID 114027500
2-bromo-5-iodo-N-pyrimidin-2-ylbenzamide
CID 103993852
N-(1,3-benzodioxol-5-yl)-2-bromo-5-iodobenzamide
CID 103988951
2-bromo-N-(2-chloro-4-iodophenyl)-5-fluorobenzamide
CID 47183268
2-bromo-5-iodobenzohydrazide
CID 3623021
N-(5-fluoro-3-pyridinyl)-4-(methylamino)benzamide
CID 114253893
2-bromo-N-(4-iodophenyl)-5-methylbenzamide
CID 81109566

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(5-fluoro-3-pyridinyl)-5-iodobenzamide?
The IUPAC name of 2-bromo-N-(5-fluoro-3-pyridinyl)-5-iodobenzamide (CID 114217625) is 2-bromo-N-(5-fluoro-3-pyridinyl)-5-iodobenzamide.
What is the SMILES notation for 2-bromo-N-(5-fluoro-3-pyridinyl)-5-iodobenzamide?
The canonical SMILES for 2-bromo-N-(5-fluoro-3-pyridinyl)-5-iodobenzamide is O=C(Nc1cncc(F)c1)c1cc(I)ccc1Br.
What is the InChIKey of 2-bromo-N-(5-fluoro-3-pyridinyl)-5-iodobenzamide?
The InChIKey is MFHCLELWEAEYRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrFIN2O/c13-11-2-1-8(15)4-10(11)12(18)17-9-3-7(14)5-16-6-9/h1-6H,(H,17,18).
What are the key properties of 2-bromo-N-(5-fluoro-3-pyridinyl)-5-iodobenzamide?
2-bromo-N-(5-fluoro-3-pyridinyl)-5-iodobenzamide has a molecular weight of 421.01 g/mol, XLogP of 3.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(5-fluoro-3-pyridinyl)-5-iodobenzamide is sourced from PubChem (CID 114217625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).