3-bromo-N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)benzamide

C21H23BrN2O2 — CID 86934196

IUPAC3-bromo-N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)benzamide
SMILESCc1ccc(N(CC(=O)N2CCCCC2)C(=O)c2cccc(Br)c2)cc1
InChIInChI=1S/C21H23BrN2O2/c1-16-8-10-19(11-9-16)24(15-20(25)23-12-3-2-4-13-23)21(26)17-6-5-7-18(22)14-17/h5-11,14H,2-4,12-13,15H2,1H3
InChIKeyANFJLHKOKGGKFL-UHFFFAOYSA-N
MW415.33 g/mol
LogP4.42
Rot. Bonds4

About 3-bromo-N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)benzamide

3-bromo-N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)benzamide (PubChem CID 86934196) has the molecular formula C21H23BrN2O2 and a molecular weight of 415.33 g/mol. Its IUPAC name is 3-bromo-N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)benzamide.

Molecular Properties

Compound Name3-bromo-N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)benzamide
PubChem CID86934196
Molecular FormulaC21H23BrN2O2
Molecular Weight415.33 g/mol
Exact Mass414.09
IUPAC Name3-bromo-N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)benzamide
SMILESCc1ccc(N(CC(=O)N2CCCCC2)C(=O)c2cccc(Br)c2)cc1
InChIInChI=1S/C21H23BrN2O2/c1-16-8-10-19(11-9-16)24(15-20(25)23-12-3-2-4-13-23)21(26)17-6-5-7-18(22)14-17/h5-11,14H,2-4,12-13,15H2,1H3
InChIKeyANFJLHKOKGGKFL-UHFFFAOYSA-N
XLogP4.42
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.33
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-bromophenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide
CID 113177878
1,2-dimethyl-N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)pyrrole-3-carboxamide
CID 154758120
6-(3,5-dimethylpyrazol-1-yl)-N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)pyridine-3-carboxamide
CID 86934182
N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)-1-phenylpyrazole-3-carboxamide
CID 86934156
N-ethyl-N-(4-methylphenyl)azepane-1-carboxamide
CID 116655376
2-(4-methyl-N-propylanilino)-1-piperidin-1-ylethanone
CID 86906131
N-(3-acetylphenyl)-N-[2-(azepan-1-yl)-2-oxoethyl]acetamide
CID 113175452
[2-(azepan-1-yl)-2-oxoethyl] 3-bromobenzoate
CID 23990780
N-(3-bromo-4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide
CID 113173034
2-methyl-N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 86934267
2-(6-methyl-1H-indol-3-yl)-N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide
CID 86934178
N-[2-(azepan-1-yl)-2-oxoethyl]-N-phenylacetamide
CID 113167153

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)benzamide?
The IUPAC name of 3-bromo-N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)benzamide (CID 86934196) is 3-bromo-N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)benzamide.
What is the SMILES notation for 3-bromo-N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)benzamide?
The canonical SMILES for 3-bromo-N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)benzamide is Cc1ccc(N(CC(=O)N2CCCCC2)C(=O)c2cccc(Br)c2)cc1.
What is the InChIKey of 3-bromo-N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)benzamide?
The InChIKey is ANFJLHKOKGGKFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23BrN2O2/c1-16-8-10-19(11-9-16)24(15-20(25)23-12-3-2-4-13-23)21(26)17-6-5-7-18(22)14-17/h5-11,14H,2-4,12-13,15H2,1H3.
What are the key properties of 3-bromo-N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)benzamide?
3-bromo-N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)benzamide has a molecular weight of 415.33 g/mol, XLogP of 4.42, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)benzamide is sourced from PubChem (CID 86934196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).