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

C13H13BrFN3O — CID 104627197

IUPAC2-bromo-5-fluoro-N-[2-(1-methylpyrazol-3-yl)ethyl]benzamide
SMILESCn1ccc(CCNC(=O)c2cc(F)ccc2Br)n1
InChIInChI=1S/C13H13BrFN3O/c1-18-7-5-10(17-18)4-6-16-13(19)11-8-9(15)2-3-12(11)14/h2-3,5,7-8H,4,6H2,1H3,(H,16,19)
InChIKeyVOBSRPFMTNSVGZ-UHFFFAOYSA-N
MW326.17 g/mol
LogP2.29
Rot. Bonds4

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

2-bromo-5-fluoro-N-[2-(1-methylpyrazol-3-yl)ethyl]benzamide (PubChem CID 104627197) has the molecular formula C13H13BrFN3O and a molecular weight of 326.17 g/mol. Its IUPAC name is 2-bromo-5-fluoro-N-[2-(1-methylpyrazol-3-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-bromo-5-fluoro-N-[2-(1-methylpyrazol-3-yl)ethyl]benzamide
PubChem CID104627197
Molecular FormulaC13H13BrFN3O
Molecular Weight326.17 g/mol
Exact Mass325.02
IUPAC Name2-bromo-5-fluoro-N-[2-(1-methylpyrazol-3-yl)ethyl]benzamide
SMILESCn1ccc(CCNC(=O)c2cc(F)ccc2Br)n1
InChIInChI=1S/C13H13BrFN3O/c1-18-7-5-10(17-18)4-6-16-13(19)11-8-9(15)2-3-12(11)14/h2-3,5,7-8H,4,6H2,1H3,(H,16,19)
InChIKeyVOBSRPFMTNSVGZ-UHFFFAOYSA-N
XLogP2.29
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.17
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-5-fluoro-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 82872980
2-bromo-5-fluoro-N-[2-(4-fluorophenyl)ethyl]benzamide
CID 9210550
2-amino-5-hydroxy-N-[2-(1-methylpyrazol-3-yl)ethyl]benzamide
CID 106103789
2-bromo-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-fluorobenzamide
CID 51217423
2-bromo-5-fluoro-N-(2-methoxyethyl)benzamide
CID 24703783
2-bromo-5-fluoro-N-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]benzamide
CID 99637033
2-bromo-5-fluoro-N-(3-pyrazol-1-ylpropyl)benzamide
CID 37393425
2-methyl-4-(methylamino)-N-[2-(1-methylpyrazol-3-yl)ethyl]benzamide
CID 106106392
2-bromo-N-[3-(diethylamino)propyl]-5-fluorobenzamide
CID 24694683
4-amino-6-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-3-carboxamide
CID 106106388
4-bromo-N-[2-(1-methylpyrazol-3-yl)ethyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 104627181
2-bromo-N-(5-bromopentyl)-5-fluorobenzamide
CID 107322000

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-fluoro-N-[2-(1-methylpyrazol-3-yl)ethyl]benzamide?
The IUPAC name of 2-bromo-5-fluoro-N-[2-(1-methylpyrazol-3-yl)ethyl]benzamide (CID 104627197) is 2-bromo-5-fluoro-N-[2-(1-methylpyrazol-3-yl)ethyl]benzamide.
What is the SMILES notation for 2-bromo-5-fluoro-N-[2-(1-methylpyrazol-3-yl)ethyl]benzamide?
The canonical SMILES for 2-bromo-5-fluoro-N-[2-(1-methylpyrazol-3-yl)ethyl]benzamide is Cn1ccc(CCNC(=O)c2cc(F)ccc2Br)n1.
What is the InChIKey of 2-bromo-5-fluoro-N-[2-(1-methylpyrazol-3-yl)ethyl]benzamide?
The InChIKey is VOBSRPFMTNSVGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrFN3O/c1-18-7-5-10(17-18)4-6-16-13(19)11-8-9(15)2-3-12(11)14/h2-3,5,7-8H,4,6H2,1H3,(H,16,19).
What are the key properties of 2-bromo-5-fluoro-N-[2-(1-methylpyrazol-3-yl)ethyl]benzamide?
2-bromo-5-fluoro-N-[2-(1-methylpyrazol-3-yl)ethyl]benzamide has a molecular weight of 326.17 g/mol, XLogP of 2.29, 4 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-[2-(1-methylpyrazol-3-yl)ethyl]benzamide is sourced from PubChem (CID 104627197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).