2-bromo-5-fluoro-N-[(1-methylpyrazol-3-yl)methyl]benzamide

C12H11BrFN3O — CID 82872980

IUPAC2-bromo-5-fluoro-N-[(1-methylpyrazol-3-yl)methyl]benzamide
SMILESCn1ccc(CNC(=O)c2cc(F)ccc2Br)n1
InChIInChI=1S/C12H11BrFN3O/c1-17-5-4-9(16-17)7-15-12(18)10-6-8(14)2-3-11(10)13/h2-6H,7H2,1H3,(H,15,18)
InChIKeyOYJKLUMLEZSPBP-UHFFFAOYSA-N
MW312.14 g/mol
LogP2.25
Rot. Bonds3

About 2-bromo-5-fluoro-N-[(1-methylpyrazol-3-yl)methyl]benzamide

2-bromo-5-fluoro-N-[(1-methylpyrazol-3-yl)methyl]benzamide (PubChem CID 82872980) has the molecular formula C12H11BrFN3O and a molecular weight of 312.14 g/mol. Its IUPAC name is 2-bromo-5-fluoro-N-[(1-methylpyrazol-3-yl)methyl]benzamide.

Molecular Properties

Compound Name2-bromo-5-fluoro-N-[(1-methylpyrazol-3-yl)methyl]benzamide
PubChem CID82872980
Molecular FormulaC12H11BrFN3O
Molecular Weight312.14 g/mol
Exact Mass311.01
IUPAC Name2-bromo-5-fluoro-N-[(1-methylpyrazol-3-yl)methyl]benzamide
SMILESCn1ccc(CNC(=O)c2cc(F)ccc2Br)n1
InChIInChI=1S/C12H11BrFN3O/c1-17-5-4-9(16-17)7-15-12(18)10-6-8(14)2-3-11(10)13/h2-6H,7H2,1H3,(H,15,18)
InChIKeyOYJKLUMLEZSPBP-UHFFFAOYSA-N
XLogP2.25
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.14
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-5-fluoro-N-[2-(1-methylpyrazol-3-yl)ethyl]benzamide
CID 104627197
2-bromo-5-fluoro-N-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]benzamide
CID 99637033
2-bromo-4-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 82872826
3-amino-4-bromo-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 82882800
3,5-dibromo-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 103908537
2-amino-5-fluoro-N-[(1-methylpyrazol-3-yl)methyl]-3-nitrobenzamide
CID 103877691
2-fluoro-5-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 82882306
2-bromo-5-fluoro-N-[(4-fluorophenyl)methyl]benzamide
CID 8927292
3-bromo-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 19330923
N-(2-amino-2-methylpropyl)-2-bromo-5-fluorobenzamide
CID 81483150
3-bromo-5-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 113460821
4-bromo-N-[(1-methylpyrazol-3-yl)methyl]-1H-pyrazole-5-carboxamide
CID 19329213

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-fluoro-N-[(1-methylpyrazol-3-yl)methyl]benzamide?
The IUPAC name of 2-bromo-5-fluoro-N-[(1-methylpyrazol-3-yl)methyl]benzamide (CID 82872980) is 2-bromo-5-fluoro-N-[(1-methylpyrazol-3-yl)methyl]benzamide.
What is the SMILES notation for 2-bromo-5-fluoro-N-[(1-methylpyrazol-3-yl)methyl]benzamide?
The canonical SMILES for 2-bromo-5-fluoro-N-[(1-methylpyrazol-3-yl)methyl]benzamide is Cn1ccc(CNC(=O)c2cc(F)ccc2Br)n1.
What is the InChIKey of 2-bromo-5-fluoro-N-[(1-methylpyrazol-3-yl)methyl]benzamide?
The InChIKey is OYJKLUMLEZSPBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrFN3O/c1-17-5-4-9(16-17)7-15-12(18)10-6-8(14)2-3-11(10)13/h2-6H,7H2,1H3,(H,15,18).
What are the key properties of 2-bromo-5-fluoro-N-[(1-methylpyrazol-3-yl)methyl]benzamide?
2-bromo-5-fluoro-N-[(1-methylpyrazol-3-yl)methyl]benzamide has a molecular weight of 312.14 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-fluoro-N-[(1-methylpyrazol-3-yl)methyl]benzamide is sourced from PubChem (CID 82872980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).