3,5-dibromo-N-(2-oxo-2-piperidin-1-ylethyl)benzamide

C14H16Br2N2O2 — CID 103908567

IUPAC3,5-dibromo-N-(2-oxo-2-piperidin-1-ylethyl)benzamide
SMILESO=C(NCC(=O)N1CCCCC1)c1cc(Br)cc(Br)c1
InChIInChI=1S/C14H16Br2N2O2/c15-11-6-10(7-12(16)8-11)14(20)17-9-13(19)18-4-2-1-3-5-18/h6-8H,1-5,9H2,(H,17,20)
InChIKeyGGRNNSVOAVFVIB-UHFFFAOYSA-N
MW404.10 g/mol
LogP2.95
Rot. Bonds3

About 3,5-dibromo-N-(2-oxo-2-piperidin-1-ylethyl)benzamide

3,5-dibromo-N-(2-oxo-2-piperidin-1-ylethyl)benzamide (PubChem CID 103908567) has the molecular formula C14H16Br2N2O2 and a molecular weight of 404.10 g/mol. Its IUPAC name is 3,5-dibromo-N-(2-oxo-2-piperidin-1-ylethyl)benzamide.

Molecular Properties

Compound Name3,5-dibromo-N-(2-oxo-2-piperidin-1-ylethyl)benzamide
PubChem CID103908567
Molecular FormulaC14H16Br2N2O2
Molecular Weight404.10 g/mol
Exact Mass401.96
IUPAC Name3,5-dibromo-N-(2-oxo-2-piperidin-1-ylethyl)benzamide
SMILESO=C(NCC(=O)N1CCCCC1)c1cc(Br)cc(Br)c1
InChIInChI=1S/C14H16Br2N2O2/c15-11-6-10(7-12(16)8-11)14(20)17-9-13(19)18-4-2-1-3-5-18/h6-8H,1-5,9H2,(H,17,20)
InChIKeyGGRNNSVOAVFVIB-UHFFFAOYSA-N
XLogP2.95
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.10
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-5-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 113286153
3,5-dimethyl-N-(2-oxo-2-piperidin-1-ylethyl)benzamide
CID 2095565
N-[2-(azepan-1-yl)-2-oxoethyl]-3,5-dimethoxybenzamide
CID 26500774
3-bromo-5-fluoro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 61175305
4-bromo-3-fluoro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 112687414
N-(2-oxo-2-piperidin-1-ylethyl)naphthalene-2-carboxamide
CID 24539686
2-(4-bromophenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide
CID 110712327
5-bromo-2-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 112683751
3,5-dibromo-N-(3-piperidin-1-ylpropyl)benzamide
CID 107980133
(2-oxo-2-piperidin-1-ylethyl) 2-[(3-bromobenzoyl)amino]acetate
CID 35661902
2-(3-bromophenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide
CID 112990956
N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-3-bromobenzamide
CID 51161836

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-N-(2-oxo-2-piperidin-1-ylethyl)benzamide?
The IUPAC name of 3,5-dibromo-N-(2-oxo-2-piperidin-1-ylethyl)benzamide (CID 103908567) is 3,5-dibromo-N-(2-oxo-2-piperidin-1-ylethyl)benzamide.
What is the SMILES notation for 3,5-dibromo-N-(2-oxo-2-piperidin-1-ylethyl)benzamide?
The canonical SMILES for 3,5-dibromo-N-(2-oxo-2-piperidin-1-ylethyl)benzamide is O=C(NCC(=O)N1CCCCC1)c1cc(Br)cc(Br)c1.
What is the InChIKey of 3,5-dibromo-N-(2-oxo-2-piperidin-1-ylethyl)benzamide?
The InChIKey is GGRNNSVOAVFVIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Br2N2O2/c15-11-6-10(7-12(16)8-11)14(20)17-9-13(19)18-4-2-1-3-5-18/h6-8H,1-5,9H2,(H,17,20).
What are the key properties of 3,5-dibromo-N-(2-oxo-2-piperidin-1-ylethyl)benzamide?
3,5-dibromo-N-(2-oxo-2-piperidin-1-ylethyl)benzamide has a molecular weight of 404.10 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-N-(2-oxo-2-piperidin-1-ylethyl)benzamide is sourced from PubChem (CID 103908567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).