2-bromo-6-fluoro-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]benzamide

C16H20BrFN2O — CID 115678740

IUPAC2-bromo-6-fluoro-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]benzamide
SMILESCN1C2CCC1CC(CNC(=O)c1c(F)cccc1Br)C2
InChIInChI=1S/C16H20BrFN2O/c1-20-11-5-6-12(20)8-10(7-11)9-19-16(21)15-13(17)3-2-4-14(15)18/h2-4,10-12H,5-9H2,1H3,(H,19,21)
InChIKeyZRTKBYSVUGMLLJ-UHFFFAOYSA-N
MW355.25 g/mol
LogP3.19
Rot. Bonds3

About 2-bromo-6-fluoro-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]benzamide

2-bromo-6-fluoro-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]benzamide (PubChem CID 115678740) has the molecular formula C16H20BrFN2O and a molecular weight of 355.25 g/mol. Its IUPAC name is 2-bromo-6-fluoro-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]benzamide.

Molecular Properties

Compound Name2-bromo-6-fluoro-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]benzamide
PubChem CID115678740
Molecular FormulaC16H20BrFN2O
Molecular Weight355.25 g/mol
Exact Mass354.07
IUPAC Name2-bromo-6-fluoro-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]benzamide
SMILESCN1C2CCC1CC(CNC(=O)c1c(F)cccc1Br)C2
InChIInChI=1S/C16H20BrFN2O/c1-20-11-5-6-12(20)8-10(7-11)9-19-16(21)15-13(17)3-2-4-14(15)18/h2-4,10-12H,5-9H2,1H3,(H,19,21)
InChIKeyZRTKBYSVUGMLLJ-UHFFFAOYSA-N
XLogP3.19
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.25
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-bromo-6-fluoro-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]benzamide with MolForge

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Related Compounds

2-bromo-N-(cyclopentylmethyl)-6-fluorobenzamide
CID 115678359
2-bromo-5-fluoro-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]benzamide
CID 61017183
2-bromo-6-fluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide
CID 115678882
2-bromo-5-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]benzamide
CID 80974574
4-bromo-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]benzamide
CID 61019144
2-bromo-6-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide
CID 120944140
4-iodo-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]benzamide
CID 61074514
2-chloro-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pyridine-3-carboxamide
CID 61053293
2-bromo-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-fluorobenzamide
CID 115678361
2-fluoro-6-hydroxy-N-[(3-hydroxycyclobutyl)methyl]benzamide
CID 107015730
N-[(4-aminocyclohexyl)methyl]-2,6-difluorobenzamide
CID 106124024
2-bromo-N-butyl-6-fluorobenzamide
CID 115678075

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-fluoro-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]benzamide?
The IUPAC name of 2-bromo-6-fluoro-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]benzamide (CID 115678740) is 2-bromo-6-fluoro-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]benzamide.
What is the SMILES notation for 2-bromo-6-fluoro-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]benzamide?
The canonical SMILES for 2-bromo-6-fluoro-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]benzamide is CN1C2CCC1CC(CNC(=O)c1c(F)cccc1Br)C2.
What is the InChIKey of 2-bromo-6-fluoro-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]benzamide?
The InChIKey is ZRTKBYSVUGMLLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrFN2O/c1-20-11-5-6-12(20)8-10(7-11)9-19-16(21)15-13(17)3-2-4-14(15)18/h2-4,10-12H,5-9H2,1H3,(H,19,21).
What are the key properties of 2-bromo-6-fluoro-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]benzamide?
2-bromo-6-fluoro-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]benzamide has a molecular weight of 355.25 g/mol, XLogP of 3.19, 3 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-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]benzamide is sourced from PubChem (CID 115678740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).