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

C14H16BrFN2O2 — CID 115678936

IUPAC2-bromo-6-fluoro-N-(2-oxo-2-piperidin-1-ylethyl)benzamide
SMILESO=C(NCC(=O)N1CCCCC1)c1c(F)cccc1Br
InChIInChI=1S/C14H16BrFN2O2/c15-10-5-4-6-11(16)13(10)14(20)17-9-12(19)18-7-2-1-3-8-18/h4-6H,1-3,7-9H2,(H,17,20)
InChIKeyPTIYNBUTBZDINL-UHFFFAOYSA-N
MW343.20 g/mol
LogP2.33
Rot. Bonds3

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

2-bromo-6-fluoro-N-(2-oxo-2-piperidin-1-ylethyl)benzamide (PubChem CID 115678936) has the molecular formula C14H16BrFN2O2 and a molecular weight of 343.20 g/mol. Its IUPAC name is 2-bromo-6-fluoro-N-(2-oxo-2-piperidin-1-ylethyl)benzamide.

Molecular Properties

Compound Name2-bromo-6-fluoro-N-(2-oxo-2-piperidin-1-ylethyl)benzamide
PubChem CID115678936
Molecular FormulaC14H16BrFN2O2
Molecular Weight343.20 g/mol
Exact Mass342.04
IUPAC Name2-bromo-6-fluoro-N-(2-oxo-2-piperidin-1-ylethyl)benzamide
SMILESO=C(NCC(=O)N1CCCCC1)c1c(F)cccc1Br
InChIInChI=1S/C14H16BrFN2O2/c15-10-5-4-6-11(16)13(10)14(20)17-9-12(19)18-7-2-1-3-8-18/h4-6H,1-3,7-9H2,(H,17,20)
InChIKeyPTIYNBUTBZDINL-UHFFFAOYSA-N
XLogP2.33
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.20
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-6-fluoro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 115736847
2-bromo-6-fluoro-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)benzamide
CID 115678737
4-bromo-3-fluoro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 112687414
N-(2-amino-2-sulfanylideneethyl)-2-bromo-6-fluorobenzamide
CID 114559233
2-fluoro-N-[2-oxo-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]ethyl]benzamide
CID 43045470
2-fluoro-3-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 112699377
2-(2-bromophenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 112990865
2-bromo-N-(cyclopentylmethyl)-6-fluorobenzamide
CID 115678359
2-amino-6-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 70334221
1-(azepan-1-yl)-2-(3-bromo-2-methylanilino)ethanone
CID 103721440
2-(3-bromophenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide
CID 112990956
3,5-dibromo-N-(2-oxo-2-piperidin-1-ylethyl)benzamide
CID 103908567

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-fluoro-N-(2-oxo-2-piperidin-1-ylethyl)benzamide?
The IUPAC name of 2-bromo-6-fluoro-N-(2-oxo-2-piperidin-1-ylethyl)benzamide (CID 115678936) is 2-bromo-6-fluoro-N-(2-oxo-2-piperidin-1-ylethyl)benzamide.
What is the SMILES notation for 2-bromo-6-fluoro-N-(2-oxo-2-piperidin-1-ylethyl)benzamide?
The canonical SMILES for 2-bromo-6-fluoro-N-(2-oxo-2-piperidin-1-ylethyl)benzamide is O=C(NCC(=O)N1CCCCC1)c1c(F)cccc1Br.
What is the InChIKey of 2-bromo-6-fluoro-N-(2-oxo-2-piperidin-1-ylethyl)benzamide?
The InChIKey is PTIYNBUTBZDINL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrFN2O2/c15-10-5-4-6-11(16)13(10)14(20)17-9-12(19)18-7-2-1-3-8-18/h4-6H,1-3,7-9H2,(H,17,20).
What are the key properties of 2-bromo-6-fluoro-N-(2-oxo-2-piperidin-1-ylethyl)benzamide?
2-bromo-6-fluoro-N-(2-oxo-2-piperidin-1-ylethyl)benzamide has a molecular weight of 343.20 g/mol, XLogP of 2.33, 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-(2-oxo-2-piperidin-1-ylethyl)benzamide is sourced from PubChem (CID 115678936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).