3-bromo-N-(5-bromo-3-methyl-2-pyridinyl)-2-fluorobenzamide

C13H9Br2FN2O — CID 106547581

IUPAC3-bromo-N-(5-bromo-3-methyl-2-pyridinyl)-2-fluorobenzamide
SMILESCc1cc(Br)cnc1NC(=O)c1cccc(Br)c1F
InChIInChI=1S/C13H9Br2FN2O/c1-7-5-8(14)6-17-12(7)18-13(19)9-3-2-4-10(15)11(9)16/h2-6H,1H3,(H,17,18,19)
InChIKeyFSQUXNKWMWFNGM-UHFFFAOYSA-N
MW388.03 g/mol
LogP4.31
Rot. Bonds2

About 3-bromo-N-(5-bromo-3-methyl-2-pyridinyl)-2-fluorobenzamide

3-bromo-N-(5-bromo-3-methyl-2-pyridinyl)-2-fluorobenzamide (PubChem CID 106547581) has the molecular formula C13H9Br2FN2O and a molecular weight of 388.03 g/mol. Its IUPAC name is 3-bromo-N-(5-bromo-3-methyl-2-pyridinyl)-2-fluorobenzamide.

Molecular Properties

Compound Name3-bromo-N-(5-bromo-3-methyl-2-pyridinyl)-2-fluorobenzamide
PubChem CID106547581
Molecular FormulaC13H9Br2FN2O
Molecular Weight388.03 g/mol
Exact Mass385.91
IUPAC Name3-bromo-N-(5-bromo-3-methyl-2-pyridinyl)-2-fluorobenzamide
SMILESCc1cc(Br)cnc1NC(=O)c1cccc(Br)c1F
InChIInChI=1S/C13H9Br2FN2O/c1-7-5-8(14)6-17-12(7)18-13(19)9-3-2-4-10(15)11(9)16/h2-6H,1H3,(H,17,18,19)
InChIKeyFSQUXNKWMWFNGM-UHFFFAOYSA-N
XLogP4.31
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.03
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-(4-bromo-2,6-dimethylphenyl)-2-fluorobenzamide
CID 106545347
N-(5-bromo-3-methyl-2-pyridinyl)-2-(trifluoromethyl)benzamide
CID 81485699
N-(5-amino-3-methyl-2-pyridinyl)-2-fluoro-3-methylbenzamide
CID 112555333
3-bromo-N-(3,5-dibromopyrazin-2-yl)-2-fluorobenzamide
CID 114074315
3-bromo-2-fluoro-N-(4-methyl-1H-pyrazol-5-yl)benzamide
CID 106547271
N-(5-amino-4-methyl-2-pyridinyl)-3-bromo-2-fluorobenzamide
CID 107948807
5-bromo-N-(5-bromo-3-methyl-2-pyridinyl)-2-hydroxybenzamide
CID 113266660
5-bromo-N-(5-bromo-3-methyl-2-pyridinyl)-2-hydrazinylpyridine-3-carboxamide
CID 83170019
3-amino-N-(5-bromo-3-methyl-2-pyridinyl)-2-nitrobenzamide
CID 83169523
N-(5-bromo-3-methyl-2-pyridinyl)-2-chloro-4-methylbenzamide
CID 106509648
3-bromo-2-fluoro-N-(4-methyl-3-pyridinyl)benzamide
CID 106544474
N-(5-bromo-3-methyl-2-pyridinyl)-4-chloropyridine-3-carboxamide
CID 83166694

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(5-bromo-3-methyl-2-pyridinyl)-2-fluorobenzamide?
The IUPAC name of 3-bromo-N-(5-bromo-3-methyl-2-pyridinyl)-2-fluorobenzamide (CID 106547581) is 3-bromo-N-(5-bromo-3-methyl-2-pyridinyl)-2-fluorobenzamide.
What is the SMILES notation for 3-bromo-N-(5-bromo-3-methyl-2-pyridinyl)-2-fluorobenzamide?
The canonical SMILES for 3-bromo-N-(5-bromo-3-methyl-2-pyridinyl)-2-fluorobenzamide is Cc1cc(Br)cnc1NC(=O)c1cccc(Br)c1F.
What is the InChIKey of 3-bromo-N-(5-bromo-3-methyl-2-pyridinyl)-2-fluorobenzamide?
The InChIKey is FSQUXNKWMWFNGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Br2FN2O/c1-7-5-8(14)6-17-12(7)18-13(19)9-3-2-4-10(15)11(9)16/h2-6H,1H3,(H,17,18,19).
What are the key properties of 3-bromo-N-(5-bromo-3-methyl-2-pyridinyl)-2-fluorobenzamide?
3-bromo-N-(5-bromo-3-methyl-2-pyridinyl)-2-fluorobenzamide has a molecular weight of 388.03 g/mol, XLogP of 4.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(5-bromo-3-methyl-2-pyridinyl)-2-fluorobenzamide is sourced from PubChem (CID 106547581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).