2,4-dibromo-N-(1-methylpiperidin-3-yl)benzamide

C13H16Br2N2O — CID 103882624

IUPAC2,4-dibromo-N-(1-methylpiperidin-3-yl)benzamide
SMILESCN1CCCC(NC(=O)c2ccc(Br)cc2Br)C1
InChIInChI=1S/C13H16Br2N2O/c1-17-6-2-3-10(8-17)16-13(18)11-5-4-9(14)7-12(11)15/h4-5,7,10H,2-3,6,8H2,1H3,(H,16,18)
InChIKeyUQGUXGPVYJUDNW-UHFFFAOYSA-N
MW376.09 g/mol
LogP3.04
Rot. Bonds2

About 2,4-dibromo-N-(1-methylpiperidin-3-yl)benzamide

2,4-dibromo-N-(1-methylpiperidin-3-yl)benzamide (PubChem CID 103882624) has the molecular formula C13H16Br2N2O and a molecular weight of 376.09 g/mol. Its IUPAC name is 2,4-dibromo-N-(1-methylpiperidin-3-yl)benzamide.

Molecular Properties

Compound Name2,4-dibromo-N-(1-methylpiperidin-3-yl)benzamide
PubChem CID103882624
Molecular FormulaC13H16Br2N2O
Molecular Weight376.09 g/mol
Exact Mass373.96
IUPAC Name2,4-dibromo-N-(1-methylpiperidin-3-yl)benzamide
SMILESCN1CCCC(NC(=O)c2ccc(Br)cc2Br)C1
InChIInChI=1S/C13H16Br2N2O/c1-17-6-2-3-10(8-17)16-13(18)11-5-4-9(14)7-12(11)15/h4-5,7,10H,2-3,6,8H2,1H3,(H,16,18)
InChIKeyUQGUXGPVYJUDNW-UHFFFAOYSA-N
XLogP3.04
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.09
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-2-methyl-N-(1-methylpiperidin-3-yl)benzamide
CID 112702652
2-hydroxy-N-(1-methylpiperidin-3-yl)benzamide
CID 47344376
5-amino-2,4-dimethyl-N-(1-methylpiperidin-3-yl)benzamide
CID 102705323
4-bromo-3-fluoro-N-(1-methylpiperidin-3-yl)benzamide
CID 47422175
3-bromo-4-fluoro-N-(1-methylpiperidin-3-yl)benzamide
CID 103707349
2,4-dibromo-N-(4,4-dimethylcyclohexyl)benzamide
CID 107952478
2,4-dibromo-N-(4-chlorocyclohexyl)benzamide
CID 107941133
4-amino-N-(1-methylpiperidin-3-yl)pyridine-3-carboxamide
CID 81243197
2-(methylamino)-N-(1-methylpiperidin-3-yl)benzamide
CID 61376709
2,4-dibromo-N-(oxan-4-yl)benzamide
CID 103882568
2,4-dibromo-N-(3-hydroxycyclobutyl)benzamide
CID 107939661
3-amino-2,5-difluoro-N-(1-methylpiperidin-3-yl)benzamide
CID 107120812

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-(1-methylpiperidin-3-yl)benzamide?
The IUPAC name of 2,4-dibromo-N-(1-methylpiperidin-3-yl)benzamide (CID 103882624) is 2,4-dibromo-N-(1-methylpiperidin-3-yl)benzamide.
What is the SMILES notation for 2,4-dibromo-N-(1-methylpiperidin-3-yl)benzamide?
The canonical SMILES for 2,4-dibromo-N-(1-methylpiperidin-3-yl)benzamide is CN1CCCC(NC(=O)c2ccc(Br)cc2Br)C1.
What is the InChIKey of 2,4-dibromo-N-(1-methylpiperidin-3-yl)benzamide?
The InChIKey is UQGUXGPVYJUDNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Br2N2O/c1-17-6-2-3-10(8-17)16-13(18)11-5-4-9(14)7-12(11)15/h4-5,7,10H,2-3,6,8H2,1H3,(H,16,18).
What are the key properties of 2,4-dibromo-N-(1-methylpiperidin-3-yl)benzamide?
2,4-dibromo-N-(1-methylpiperidin-3-yl)benzamide has a molecular weight of 376.09 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-N-(1-methylpiperidin-3-yl)benzamide is sourced from PubChem (CID 103882624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).