2-bromo-5-fluoro-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride

C13H17BrClFN2O — CID 119444450

IUPAC2-bromo-5-fluoro-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride
SMILESCN(C(=O)c1cc(F)ccc1Br)C1CCNCC1.Cl
InChIInChI=1S/C13H16BrFN2O.ClH/c1-17(10-4-6-16-7-5-10)13(18)11-8-9(15)2-3-12(11)14;/h2-3,8,10,16H,4-7H2,1H3;1H
InChIKeyUSJJUSFFJDLZOA-UHFFFAOYSA-N
MW351.65 g/mol
LogP2.83
Rot. Bonds2

About 2-bromo-5-fluoro-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride

2-bromo-5-fluoro-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride (PubChem CID 119444450) has the molecular formula C13H17BrClFN2O and a molecular weight of 351.65 g/mol. Its IUPAC name is 2-bromo-5-fluoro-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride.

Molecular Properties

Compound Name2-bromo-5-fluoro-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride
PubChem CID119444450
Molecular FormulaC13H17BrClFN2O
Molecular Weight351.65 g/mol
Exact Mass350.02
IUPAC Name2-bromo-5-fluoro-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride
SMILESCN(C(=O)c1cc(F)ccc1Br)C1CCNCC1.Cl
InChIInChI=1S/C13H16BrFN2O.ClH/c1-17(10-4-6-16-7-5-10)13(18)11-8-9(15)2-3-12(11)14;/h2-3,8,10,16H,4-7H2,1H3;1H
InChIKeyUSJJUSFFJDLZOA-UHFFFAOYSA-N
XLogP2.83
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.65
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-difluoro-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119443342
2-bromo-5-fluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 24705868
5-fluoro-N-methyl-2-nitro-N-piperidin-4-ylbenzamide;hydrochloride
CID 119443365
2-fluoro-N,4-dimethyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119443710
2-bromo-4-fluoro-N-methyl-N-piperidin-3-ylbenzamide
CID 63641753
2,3-difluoro-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119444296
2-bromo-N-methyl-4-nitro-N-piperidin-4-ylbenzamide;hydrochloride
CID 119442882
2,3,4-trifluoro-N-methyl-N-piperidin-4-ylbenzamide
CID 79750025
N-(azepan-4-yl)-4-bromo-N,2-dimethylbenzamide
CID 104974736
3-(4-fluorophenyl)-N-methyl-N-piperidin-4-yl-1H-pyrazole-5-carboxamide;hydrochloride
CID 119441233
N-(azepan-4-yl)-3-bromo-N,2-dimethylbenzamide
CID 104974738
2,4,6-trifluoro-N-methyl-N-piperidin-4-ylbenzamide
CID 65100676

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-fluoro-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride?
The IUPAC name of 2-bromo-5-fluoro-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride (CID 119444450) is 2-bromo-5-fluoro-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride.
What is the SMILES notation for 2-bromo-5-fluoro-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride?
The canonical SMILES for 2-bromo-5-fluoro-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride is CN(C(=O)c1cc(F)ccc1Br)C1CCNCC1.Cl.
What is the InChIKey of 2-bromo-5-fluoro-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride?
The InChIKey is USJJUSFFJDLZOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrFN2O.ClH/c1-17(10-4-6-16-7-5-10)13(18)11-8-9(15)2-3-12(11)14;/h2-3,8,10,16H,4-7H2,1H3;1H.
What are the key properties of 2-bromo-5-fluoro-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride?
2-bromo-5-fluoro-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride has a molecular weight of 351.65 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-fluoro-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride is sourced from PubChem (CID 119444450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).