2-bromo-6-fluoro-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)benzamide

C15H18BrFN2O2 — CID 115678737

IUPAC2-bromo-6-fluoro-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)benzamide
SMILESCC(NC(=O)c1c(F)cccc1Br)C(=O)N1CCCCC1
InChIInChI=1S/C15H18BrFN2O2/c1-10(15(21)19-8-3-2-4-9-19)18-14(20)13-11(16)6-5-7-12(13)17/h5-7,10H,2-4,8-9H2,1H3,(H,18,20)
InChIKeyXQBVMTBVYZHYOC-UHFFFAOYSA-N
MW357.22 g/mol
LogP2.72
Rot. Bonds3

About 2-bromo-6-fluoro-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)benzamide

2-bromo-6-fluoro-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)benzamide (PubChem CID 115678737) has the molecular formula C15H18BrFN2O2 and a molecular weight of 357.22 g/mol. Its IUPAC name is 2-bromo-6-fluoro-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)benzamide.

Molecular Properties

Compound Name2-bromo-6-fluoro-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)benzamide
PubChem CID115678737
Molecular FormulaC15H18BrFN2O2
Molecular Weight357.22 g/mol
Exact Mass356.05
IUPAC Name2-bromo-6-fluoro-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)benzamide
SMILESCC(NC(=O)c1c(F)cccc1Br)C(=O)N1CCCCC1
InChIInChI=1S/C15H18BrFN2O2/c1-10(15(21)19-8-3-2-4-9-19)18-14(20)13-11(16)6-5-7-12(13)17/h5-7,10H,2-4,8-9H2,1H3,(H,18,20)
InChIKeyXQBVMTBVYZHYOC-UHFFFAOYSA-N
XLogP2.72
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.22
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)benzamide
CID 61041045
2,6-difluoro-N-[(2S)-3-methyl-1-oxo-1-piperidin-1-ylbutan-2-yl]benzamide
CID 24539671
2-bromo-6-fluoro-N-(2-oxo-2-piperidin-1-ylethyl)benzamide
CID 115678936
1-N,3-N-bis[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]benzene-1,3-dicarboxamide
CID 11090985
4-bromo-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 51147959
1-(azepan-1-yl)-2-(2-fluoroanilino)propan-1-one
CID 43086908
2,3-dihydroxy-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)benzamide
CID 114344654
1-[(2R)-1-(2-fluorophenyl)propan-2-yl]-3-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]urea
CID 95284220
(3R)-3-[(2-bromo-6-fluorobenzoyl)amino]butanoic acid
CID 167751934
2-bromo-6-fluoro-N-[(1R)-1-phenylethyl]benzamide
CID 103733626
2,5-dibromo-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 114372812
2-bromo-N-(1,1-dimethoxypropan-2-yl)-6-fluorobenzamide
CID 114559290

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-fluoro-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)benzamide?
The IUPAC name of 2-bromo-6-fluoro-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)benzamide (CID 115678737) is 2-bromo-6-fluoro-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)benzamide.
What is the SMILES notation for 2-bromo-6-fluoro-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)benzamide?
The canonical SMILES for 2-bromo-6-fluoro-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)benzamide is CC(NC(=O)c1c(F)cccc1Br)C(=O)N1CCCCC1.
What is the InChIKey of 2-bromo-6-fluoro-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)benzamide?
The InChIKey is XQBVMTBVYZHYOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrFN2O2/c1-10(15(21)19-8-3-2-4-9-19)18-14(20)13-11(16)6-5-7-12(13)17/h5-7,10H,2-4,8-9H2,1H3,(H,18,20).
What are the key properties of 2-bromo-6-fluoro-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)benzamide?
2-bromo-6-fluoro-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)benzamide has a molecular weight of 357.22 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-fluoro-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)benzamide is sourced from PubChem (CID 115678737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).