4-bromo-3-fluoro-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide

C15H18BrFN2O2 — CID 115595590

IUPAC4-bromo-3-fluoro-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide
SMILESO=C(NCCC(=O)N1CCCCC1)c1ccc(Br)c(F)c1
InChIInChI=1S/C15H18BrFN2O2/c16-12-5-4-11(10-13(12)17)15(21)18-7-6-14(20)19-8-2-1-3-9-19/h4-5,10H,1-3,6-9H2,(H,18,21)
InChIKeyIVHLYHMHZLGMFU-UHFFFAOYSA-N
MW357.22 g/mol
LogP2.72
Rot. Bonds4

About 4-bromo-3-fluoro-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide

4-bromo-3-fluoro-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide (PubChem CID 115595590) has the molecular formula C15H18BrFN2O2 and a molecular weight of 357.22 g/mol. Its IUPAC name is 4-bromo-3-fluoro-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide.

Molecular Properties

Compound Name4-bromo-3-fluoro-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide
PubChem CID115595590
Molecular FormulaC15H18BrFN2O2
Molecular Weight357.22 g/mol
Exact Mass356.05
IUPAC Name4-bromo-3-fluoro-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide
SMILESO=C(NCCC(=O)N1CCCCC1)c1ccc(Br)c(F)c1
InChIInChI=1S/C15H18BrFN2O2/c16-12-5-4-11(10-13(12)17)15(21)18-7-6-14(20)19-8-2-1-3-9-19/h4-5,10H,1-3,6-9H2,(H,18,21)
InChIKeyIVHLYHMHZLGMFU-UHFFFAOYSA-N
XLogP2.72
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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

4-bromo-3-fluoro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 112687414
4-fluoro-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide
CID 47250876
N-[3-(azocan-1-yl)-3-oxopropyl]-2-bromo-5-fluorobenzamide
CID 51118035
5-bromo-2-fluoro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide
CID 60651347
4-bromo-N-[2-(cycloheptylamino)ethyl]-3-fluorobenzamide
CID 115306485
N-(3-oxo-3-piperidin-1-ylpropyl)benzamide
CID 17154515
4-bromo-3-fluoro-N-(2-fluoroethyl)benzamide
CID 130478173
2-bromo-N-(3-oxo-3-piperidin-1-ylpropyl)-5-sulfanylbenzamide
CID 107034736
4-bromo-N-[3-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-3-oxopropyl]benzamide
CID 46413426
4-chloro-N-[3-oxo-3-[(3-oxo-3-piperidin-1-ylpropyl)amino]propyl]benzamide
CID 55802990
N-(3-oxo-3-pyrrolidin-1-ylpropyl)-4-sulfanylbenzamide
CID 107034732
3-amino-5-fluoro-4-methyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide
CID 115597811

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-fluoro-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide?
The IUPAC name of 4-bromo-3-fluoro-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide (CID 115595590) is 4-bromo-3-fluoro-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide.
What is the SMILES notation for 4-bromo-3-fluoro-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide?
The canonical SMILES for 4-bromo-3-fluoro-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide is O=C(NCCC(=O)N1CCCCC1)c1ccc(Br)c(F)c1.
What is the InChIKey of 4-bromo-3-fluoro-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide?
The InChIKey is IVHLYHMHZLGMFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrFN2O2/c16-12-5-4-11(10-13(12)17)15(21)18-7-6-14(20)19-8-2-1-3-9-19/h4-5,10H,1-3,6-9H2,(H,18,21).
What are the key properties of 4-bromo-3-fluoro-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide?
4-bromo-3-fluoro-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide has a molecular weight of 357.22 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-fluoro-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide is sourced from PubChem (CID 115595590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).