2-bromo-6-fluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide

C15H20BrFN2O — CID 115678882

IUPAC2-bromo-6-fluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide
SMILESCN1CCC(CCNC(=O)c2c(F)cccc2Br)CC1
InChIInChI=1S/C15H20BrFN2O/c1-19-9-6-11(7-10-19)5-8-18-15(20)14-12(16)3-2-4-13(14)17/h2-4,11H,5-10H2,1H3,(H,18,20)
InChIKeyACALNAOOVSSQAJ-UHFFFAOYSA-N
MW343.24 g/mol
LogP3.05
Rot. Bonds4

About 2-bromo-6-fluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide

2-bromo-6-fluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide (PubChem CID 115678882) has the molecular formula C15H20BrFN2O and a molecular weight of 343.24 g/mol. Its IUPAC name is 2-bromo-6-fluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-bromo-6-fluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide
PubChem CID115678882
Molecular FormulaC15H20BrFN2O
Molecular Weight343.24 g/mol
Exact Mass342.07
IUPAC Name2-bromo-6-fluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide
SMILESCN1CCC(CCNC(=O)c2c(F)cccc2Br)CC1
InChIInChI=1S/C15H20BrFN2O/c1-19-9-6-11(7-10-19)5-8-18-15(20)14-12(16)3-2-4-13(14)17/h2-4,11H,5-10H2,1H3,(H,18,20)
InChIKeyACALNAOOVSSQAJ-UHFFFAOYSA-N
XLogP3.05
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.24
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-[2-(1-methylpiperidin-4-yl)ethyl]pyridine-2-carboxamide
CID 107519431
2-bromo-6-[2-(1-methylpiperidin-4-yl)ethylamino]benzoic acid
CID 114888492
2-bromo-6-fluoro-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]benzamide
CID 115678740
2-amino-5-fluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide
CID 114514864
3,4,5-trifluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide
CID 115610737
2-bromo-N-(cyclopentylmethyl)-6-fluorobenzamide
CID 115678359
4-fluoro-2-hydroxy-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide
CID 103829910
2-amino-3-fluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]pyridine-4-carboxamide
CID 105387682
2-bromo-N-butyl-6-fluorobenzamide
CID 115678075
2-methoxy-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide
CID 99970994
N-[2-(1-methylpiperidin-4-yl)ethyl]-2-phenylacetamide
CID 50875243
3-amino-2-methoxy-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide
CID 114514863

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-fluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide?
The IUPAC name of 2-bromo-6-fluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide (CID 115678882) is 2-bromo-6-fluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide.
What is the SMILES notation for 2-bromo-6-fluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide?
The canonical SMILES for 2-bromo-6-fluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide is CN1CCC(CCNC(=O)c2c(F)cccc2Br)CC1.
What is the InChIKey of 2-bromo-6-fluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide?
The InChIKey is ACALNAOOVSSQAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrFN2O/c1-19-9-6-11(7-10-19)5-8-18-15(20)14-12(16)3-2-4-13(14)17/h2-4,11H,5-10H2,1H3,(H,18,20).
What are the key properties of 2-bromo-6-fluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide?
2-bromo-6-fluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide has a molecular weight of 343.24 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-fluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide is sourced from PubChem (CID 115678882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).