2-bromo-6-fluoro-N-[(5-methylpyrazin-2-yl)methyl]benzamide

C13H11BrFN3O — CID 114559614

IUPAC2-bromo-6-fluoro-N-[(5-methylpyrazin-2-yl)methyl]benzamide
SMILESCc1cnc(CNC(=O)c2c(F)cccc2Br)cn1
InChIInChI=1S/C13H11BrFN3O/c1-8-5-17-9(6-16-8)7-18-13(19)12-10(14)3-2-4-11(12)15/h2-6H,7H2,1H3,(H,18,19)
InChIKeyXYHMXHCCRHPVRU-UHFFFAOYSA-N
MW324.15 g/mol
LogP2.62
Rot. Bonds3

About 2-bromo-6-fluoro-N-[(5-methylpyrazin-2-yl)methyl]benzamide

2-bromo-6-fluoro-N-[(5-methylpyrazin-2-yl)methyl]benzamide (PubChem CID 114559614) has the molecular formula C13H11BrFN3O and a molecular weight of 324.15 g/mol. Its IUPAC name is 2-bromo-6-fluoro-N-[(5-methylpyrazin-2-yl)methyl]benzamide.

Molecular Properties

Compound Name2-bromo-6-fluoro-N-[(5-methylpyrazin-2-yl)methyl]benzamide
PubChem CID114559614
Molecular FormulaC13H11BrFN3O
Molecular Weight324.15 g/mol
Exact Mass323.01
IUPAC Name2-bromo-6-fluoro-N-[(5-methylpyrazin-2-yl)methyl]benzamide
SMILESCc1cnc(CNC(=O)c2c(F)cccc2Br)cn1
InChIInChI=1S/C13H11BrFN3O/c1-8-5-17-9(6-16-8)7-18-13(19)12-10(14)3-2-4-11(12)15/h2-6H,7H2,1H3,(H,18,19)
InChIKeyXYHMXHCCRHPVRU-UHFFFAOYSA-N
XLogP2.62
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.15
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-N-[(5-methylpyrazin-2-yl)methyl]pyridine-4-carboxamide
CID 105066572
2-bromo-6-fluoro-N-[(2-methylpyrimidin-4-yl)methyl]benzamide
CID 113250752
5-chloro-2-fluoro-N-[(5-methylpyrazin-2-yl)methyl]benzamide
CID 62847042
2,4-dibromo-N-[(5-methylpyrazin-2-yl)methyl]benzamide
CID 114019978
2-hydroxy-3-methyl-N-[(5-methylpyrazin-2-yl)methyl]benzamide
CID 62848139
2-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-fluorobenzamide
CID 103861008
5-amino-2-bromo-N-[(5-methylpyrazin-2-yl)methyl]benzamide
CID 62846960
2-bromo-N-[(3-ethyl-2-pyridinyl)methyl]-6-fluorobenzamide
CID 114559709
5-bromo-N-[(5-methylpyrazin-2-yl)methyl]pyridine-2-carboxamide
CID 62954782
3-methyl-N-[(5-methylpyrazin-2-yl)methyl]benzamide
CID 23530641
2-bromo-6-fluoro-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide
CID 107231275
3,5-dibromo-N-[(5-methylpyrazin-2-yl)methyl]benzamide
CID 114023576

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-fluoro-N-[(5-methylpyrazin-2-yl)methyl]benzamide?
The IUPAC name of 2-bromo-6-fluoro-N-[(5-methylpyrazin-2-yl)methyl]benzamide (CID 114559614) is 2-bromo-6-fluoro-N-[(5-methylpyrazin-2-yl)methyl]benzamide.
What is the SMILES notation for 2-bromo-6-fluoro-N-[(5-methylpyrazin-2-yl)methyl]benzamide?
The canonical SMILES for 2-bromo-6-fluoro-N-[(5-methylpyrazin-2-yl)methyl]benzamide is Cc1cnc(CNC(=O)c2c(F)cccc2Br)cn1.
What is the InChIKey of 2-bromo-6-fluoro-N-[(5-methylpyrazin-2-yl)methyl]benzamide?
The InChIKey is XYHMXHCCRHPVRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrFN3O/c1-8-5-17-9(6-16-8)7-18-13(19)12-10(14)3-2-4-11(12)15/h2-6H,7H2,1H3,(H,18,19).
What are the key properties of 2-bromo-6-fluoro-N-[(5-methylpyrazin-2-yl)methyl]benzamide?
2-bromo-6-fluoro-N-[(5-methylpyrazin-2-yl)methyl]benzamide has a molecular weight of 324.15 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-fluoro-N-[(5-methylpyrazin-2-yl)methyl]benzamide is sourced from PubChem (CID 114559614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).