2,4-dibromo-N-(piperidin-4-ylmethyl)benzamide

C13H16Br2N2O — CID 114018481

IUPAC2,4-dibromo-N-(piperidin-4-ylmethyl)benzamide
SMILESO=C(NCC1CCNCC1)c1ccc(Br)cc1Br
InChIInChI=1S/C13H16Br2N2O/c14-10-1-2-11(12(15)7-10)13(18)17-8-9-3-5-16-6-4-9/h1-2,7,9,16H,3-6,8H2,(H,17,18)
InChIKeyQDIJSTMZPDGTFF-UHFFFAOYSA-N
MW376.09 g/mol
LogP2.94
Rot. Bonds3

About 2,4-dibromo-N-(piperidin-4-ylmethyl)benzamide

2,4-dibromo-N-(piperidin-4-ylmethyl)benzamide (PubChem CID 114018481) has the molecular formula C13H16Br2N2O and a molecular weight of 376.09 g/mol. Its IUPAC name is 2,4-dibromo-N-(piperidin-4-ylmethyl)benzamide.

Molecular Properties

Compound Name2,4-dibromo-N-(piperidin-4-ylmethyl)benzamide
PubChem CID114018481
Molecular FormulaC13H16Br2N2O
Molecular Weight376.09 g/mol
Exact Mass373.96
IUPAC Name2,4-dibromo-N-(piperidin-4-ylmethyl)benzamide
SMILESO=C(NCC1CCNCC1)c1ccc(Br)cc1Br
InChIInChI=1S/C13H16Br2N2O/c14-10-1-2-11(12(15)7-10)13(18)17-8-9-3-5-16-6-4-9/h1-2,7,9,16H,3-6,8H2,(H,17,18)
InChIKeyQDIJSTMZPDGTFF-UHFFFAOYSA-N
XLogP2.94
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.09
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-dibromo-N-(cyclopropylmethyl)benzamide
CID 114369762
2,4-dibromo-N-[(5-oxopyrrolidin-2-yl)methyl]benzamide
CID 113345292
4-bromo-N-(piperidin-4-ylmethyl)pyridine-2-carboxamide
CID 170181761
4-bromo-N-(cyclobutylmethyl)-2-hydroxybenzamide
CID 47435885
4-bromo-3-chloro-N-(piperidin-4-ylmethyl)benzamide
CID 81295068
5-bromo-2-chloro-N-(cyclobutylmethyl)benzamide
CID 38655696
2-bromo-4-fluoro-N-[(4-hydroxycyclohexyl)methyl]benzamide
CID 106123468
3,5-dichloro-2-hydroxy-N-(piperidin-4-ylmethyl)benzamide
CID 178146194
2-bromo-4-fluoro-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119462396
2,5-dichloro-N-(piperidin-4-ylmethyl)thiophene-3-carboxamide
CID 103805410
2,5-dimethyl-N-(piperidin-4-ylmethyl)furan-3-carboxamide
CID 60725294
2,4-dibromo-N-(2-methoxyethyl)benzamide
CID 103882043

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-(piperidin-4-ylmethyl)benzamide?
The IUPAC name of 2,4-dibromo-N-(piperidin-4-ylmethyl)benzamide (CID 114018481) is 2,4-dibromo-N-(piperidin-4-ylmethyl)benzamide.
What is the SMILES notation for 2,4-dibromo-N-(piperidin-4-ylmethyl)benzamide?
The canonical SMILES for 2,4-dibromo-N-(piperidin-4-ylmethyl)benzamide is O=C(NCC1CCNCC1)c1ccc(Br)cc1Br.
What is the InChIKey of 2,4-dibromo-N-(piperidin-4-ylmethyl)benzamide?
The InChIKey is QDIJSTMZPDGTFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Br2N2O/c14-10-1-2-11(12(15)7-10)13(18)17-8-9-3-5-16-6-4-9/h1-2,7,9,16H,3-6,8H2,(H,17,18).
What are the key properties of 2,4-dibromo-N-(piperidin-4-ylmethyl)benzamide?
2,4-dibromo-N-(piperidin-4-ylmethyl)benzamide has a molecular weight of 376.09 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-N-(piperidin-4-ylmethyl)benzamide is sourced from PubChem (CID 114018481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).