2,4-dibromo-N-(6-fluoro-2-pyridinyl)benzamide

C12H7Br2FN2O — CID 113462597

IUPAC2,4-dibromo-N-(6-fluoro-2-pyridinyl)benzamide
SMILESO=C(Nc1cccc(F)n1)c1ccc(Br)cc1Br
InChIInChI=1S/C12H7Br2FN2O/c13-7-4-5-8(9(14)6-7)12(18)17-11-3-1-2-10(15)16-11/h1-6H,(H,16,17,18)
InChIKeyAAMJNMGOEIOFMS-UHFFFAOYSA-N
MW374.01 g/mol
LogP4.00
Rot. Bonds2

About 2,4-dibromo-N-(6-fluoro-2-pyridinyl)benzamide

2,4-dibromo-N-(6-fluoro-2-pyridinyl)benzamide (PubChem CID 113462597) has the molecular formula C12H7Br2FN2O and a molecular weight of 374.01 g/mol. Its IUPAC name is 2,4-dibromo-N-(6-fluoro-2-pyridinyl)benzamide.

Molecular Properties

Compound Name2,4-dibromo-N-(6-fluoro-2-pyridinyl)benzamide
PubChem CID113462597
Molecular FormulaC12H7Br2FN2O
Molecular Weight374.01 g/mol
Exact Mass371.89
IUPAC Name2,4-dibromo-N-(6-fluoro-2-pyridinyl)benzamide
SMILESO=C(Nc1cccc(F)n1)c1ccc(Br)cc1Br
InChIInChI=1S/C12H7Br2FN2O/c13-7-4-5-8(9(14)6-7)12(18)17-11-3-1-2-10(15)16-11/h1-6H,(H,16,17,18)
InChIKeyAAMJNMGOEIOFMS-UHFFFAOYSA-N
XLogP4.00
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.01
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2,4-dibromo-N-(6-bromo-2-pyridinyl)benzamide
CID 103882532
4-bromo-N-(6-bromo-2-pyridinyl)-2-methylbenzamide
CID 43629940
4-bromo-N-(6-bromo-2-pyridinyl)-2-chlorobenzamide
CID 43805504
4-bromo-N-(6-chloro-2-pyridinyl)-2-hydroxybenzamide
CID 104820162
4-fluoro-N-(6-fluoro-2-pyridinyl)-2-nitrobenzamide
CID 104820949
2,4-dibromo-N-(6-oxo-1H-pyridazin-3-yl)benzamide
CID 114020151
2,4-dibromo-N-(3-methylphenyl)benzamide
CID 103882056
2,4-dibromo-N-(4-methyl-2-pyridinyl)benzamide
CID 1234856
2-bromo-N-(6-bromo-2-pyridinyl)-5-fluorobenzamide
CID 43520358
2-bromo-N-(6-bromo-2-pyridinyl)benzamide
CID 43520587
2,4-dibromo-N-(3-fluoro-5-methylphenyl)benzamide
CID 113345345
2-bromo-4-fluoro-N-pyridazin-3-ylbenzamide
CID 115635735

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-(6-fluoro-2-pyridinyl)benzamide?
The IUPAC name of 2,4-dibromo-N-(6-fluoro-2-pyridinyl)benzamide (CID 113462597) is 2,4-dibromo-N-(6-fluoro-2-pyridinyl)benzamide.
What is the SMILES notation for 2,4-dibromo-N-(6-fluoro-2-pyridinyl)benzamide?
The canonical SMILES for 2,4-dibromo-N-(6-fluoro-2-pyridinyl)benzamide is O=C(Nc1cccc(F)n1)c1ccc(Br)cc1Br.
What is the InChIKey of 2,4-dibromo-N-(6-fluoro-2-pyridinyl)benzamide?
The InChIKey is AAMJNMGOEIOFMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Br2FN2O/c13-7-4-5-8(9(14)6-7)12(18)17-11-3-1-2-10(15)16-11/h1-6H,(H,16,17,18).
What are the key properties of 2,4-dibromo-N-(6-fluoro-2-pyridinyl)benzamide?
2,4-dibromo-N-(6-fluoro-2-pyridinyl)benzamide has a molecular weight of 374.01 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-N-(6-fluoro-2-pyridinyl)benzamide is sourced from PubChem (CID 113462597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).