2-bromo-4-fluoro-N-(1-methylpyrazol-4-yl)benzamide

C11H9BrFN3O — CID 32605512

IUPAC2-bromo-4-fluoro-N-(1-methylpyrazol-4-yl)benzamide
SMILESCn1cc(NC(=O)c2ccc(F)cc2Br)cn1
InChIInChI=1S/C11H9BrFN3O/c1-16-6-8(5-14-16)15-11(17)9-3-2-7(13)4-10(9)12/h2-6H,1H3,(H,15,17)
InChIKeyAQKWQUYSKNRMJF-UHFFFAOYSA-N
MW298.12 g/mol
LogP2.57
Rot. Bonds2

About 2-bromo-4-fluoro-N-(1-methylpyrazol-4-yl)benzamide

2-bromo-4-fluoro-N-(1-methylpyrazol-4-yl)benzamide (PubChem CID 32605512) has the molecular formula C11H9BrFN3O and a molecular weight of 298.12 g/mol. Its IUPAC name is 2-bromo-4-fluoro-N-(1-methylpyrazol-4-yl)benzamide.

Molecular Properties

Compound Name2-bromo-4-fluoro-N-(1-methylpyrazol-4-yl)benzamide
PubChem CID32605512
Molecular FormulaC11H9BrFN3O
Molecular Weight298.12 g/mol
Exact Mass296.99
IUPAC Name2-bromo-4-fluoro-N-(1-methylpyrazol-4-yl)benzamide
SMILESCn1cc(NC(=O)c2ccc(F)cc2Br)cn1
InChIInChI=1S/C11H9BrFN3O/c1-16-6-8(5-14-16)15-11(17)9-3-2-7(13)4-10(9)12/h2-6H,1H3,(H,15,17)
InChIKeyAQKWQUYSKNRMJF-UHFFFAOYSA-N
XLogP2.57
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.12
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-4-fluoro-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]benzamide
CID 60932817
5-amino-2-bromo-4-fluoro-N-(1-methylpyrazol-4-yl)benzamide
CID 62816464
2-bromo-4-fluoro-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 47364485
4-fluoro-N-(1-methylpyrazol-4-yl)benzamide
CID 60749610
2-bromo-4-fluoro-N-phenylbenzamide
CID 17461201
2-chloro-5-fluoro-N-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 103891962
5-fluoro-2-(methylamino)-N-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 114034924
2-methyl-4-(methylamino)-N-(1-methylpyrazol-4-yl)benzamide
CID 113400170
4-bromo-N-(1-methylpyrazol-4-yl)-3-(trifluoromethyl)benzamide
CID 81448839
2-bromo-4-fluoro-N-(4-methoxyphenyl)benzamide
CID 9191814
2-bromo-4-fluoro-N-(3-hydroxyphenyl)benzamide
CID 28739689
2,5-dimethyl-N-(1-methylpyrazol-4-yl)thiophene-3-carboxamide
CID 32605378

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-fluoro-N-(1-methylpyrazol-4-yl)benzamide?
The IUPAC name of 2-bromo-4-fluoro-N-(1-methylpyrazol-4-yl)benzamide (CID 32605512) is 2-bromo-4-fluoro-N-(1-methylpyrazol-4-yl)benzamide.
What is the SMILES notation for 2-bromo-4-fluoro-N-(1-methylpyrazol-4-yl)benzamide?
The canonical SMILES for 2-bromo-4-fluoro-N-(1-methylpyrazol-4-yl)benzamide is Cn1cc(NC(=O)c2ccc(F)cc2Br)cn1.
What is the InChIKey of 2-bromo-4-fluoro-N-(1-methylpyrazol-4-yl)benzamide?
The InChIKey is AQKWQUYSKNRMJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrFN3O/c1-16-6-8(5-14-16)15-11(17)9-3-2-7(13)4-10(9)12/h2-6H,1H3,(H,15,17).
What are the key properties of 2-bromo-4-fluoro-N-(1-methylpyrazol-4-yl)benzamide?
2-bromo-4-fluoro-N-(1-methylpyrazol-4-yl)benzamide has a molecular weight of 298.12 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-fluoro-N-(1-methylpyrazol-4-yl)benzamide is sourced from PubChem (CID 32605512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).