5-bromo-2-fluoro-N-(3-tricyclo[3.2.1.02,4]octanyl)benzamide

C15H15BrFNO — CID 103767098

IUPAC5-bromo-2-fluoro-N-(3-tricyclo[3.2.1.02,4]octanyl)benzamide
SMILESO=C(NC1C2C3CCC(C3)C12)c1cc(Br)ccc1F
InChIInChI=1S/C15H15BrFNO/c16-9-3-4-11(17)10(6-9)15(19)18-14-12-7-1-2-8(5-7)13(12)14/h3-4,6-8,12-14H,1-2,5H2,(H,18,19)
InChIKeyXPUPMGKVGYUJOS-UHFFFAOYSA-N
MW324.19 g/mol
LogP3.36
Rot. Bonds2

About 5-bromo-2-fluoro-N-(3-tricyclo[3.2.1.02,4]octanyl)benzamide

5-bromo-2-fluoro-N-(3-tricyclo[3.2.1.02,4]octanyl)benzamide (PubChem CID 103767098) has the molecular formula C15H15BrFNO and a molecular weight of 324.19 g/mol. Its IUPAC name is 5-bromo-2-fluoro-N-(3-tricyclo[3.2.1.02,4]octanyl)benzamide.

Molecular Properties

Compound Name5-bromo-2-fluoro-N-(3-tricyclo[3.2.1.02,4]octanyl)benzamide
PubChem CID103767098
Molecular FormulaC15H15BrFNO
Molecular Weight324.19 g/mol
Exact Mass323.03
IUPAC Name5-bromo-2-fluoro-N-(3-tricyclo[3.2.1.02,4]octanyl)benzamide
SMILESO=C(NC1C2C3CCC(C3)C12)c1cc(Br)ccc1F
InChIInChI=1S/C15H15BrFNO/c16-9-3-4-11(17)10(6-9)15(19)18-14-12-7-1-2-8(5-7)13(12)14/h3-4,6-8,12-14H,1-2,5H2,(H,18,19)
InChIKeyXPUPMGKVGYUJOS-UHFFFAOYSA-N
XLogP3.36
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.19
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-fluoro-4-hydroxy-N-(3-tricyclo[3.2.1.02,4]octanyl)benzamide
CID 104929945
5-bromo-2-fluoro-N-(oxan-4-yl)benzamide
CID 43610272
5-bromo-N-(2,4-dimethylcyclohexyl)-2-fluorobenzamide
CID 63996958
N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-5-bromo-2-fluorobenzamide
CID 66212893
5-bromo-N-(3,3-difluorocyclobutyl)-2-fluorobenzamide
CID 155293429
5-bromo-N-(2-chlorocyclohexyl)-2-fluorobenzamide
CID 114301350
2-fluoro-4-methoxy-N-(3-tricyclo[3.2.1.02,4]octanyl)benzamide
CID 103767118
5-bromo-2-fluoro-N-(4-propylcyclohexyl)benzamide
CID 63524250
3-bromo-5-chloro-N-(3-tricyclo[3.2.1.02,4]octanyl)benzamide
CID 114096125
5-bromo-N-(3-ethylsulfanylcyclopentyl)-2-fluorobenzamide
CID 103709559
5-bromo-2-fluoro-N-(6-oxopiperidin-3-yl)benzamide
CID 55210131
5-bromo-2-fluoro-N-(2-methylpiperidin-3-yl)benzamide
CID 114694893

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-fluoro-N-(3-tricyclo[3.2.1.02,4]octanyl)benzamide?
The IUPAC name of 5-bromo-2-fluoro-N-(3-tricyclo[3.2.1.02,4]octanyl)benzamide (CID 103767098) is 5-bromo-2-fluoro-N-(3-tricyclo[3.2.1.02,4]octanyl)benzamide.
What is the SMILES notation for 5-bromo-2-fluoro-N-(3-tricyclo[3.2.1.02,4]octanyl)benzamide?
The canonical SMILES for 5-bromo-2-fluoro-N-(3-tricyclo[3.2.1.02,4]octanyl)benzamide is O=C(NC1C2C3CCC(C3)C12)c1cc(Br)ccc1F.
What is the InChIKey of 5-bromo-2-fluoro-N-(3-tricyclo[3.2.1.02,4]octanyl)benzamide?
The InChIKey is XPUPMGKVGYUJOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFNO/c16-9-3-4-11(17)10(6-9)15(19)18-14-12-7-1-2-8(5-7)13(12)14/h3-4,6-8,12-14H,1-2,5H2,(H,18,19).
What are the key properties of 5-bromo-2-fluoro-N-(3-tricyclo[3.2.1.02,4]octanyl)benzamide?
5-bromo-2-fluoro-N-(3-tricyclo[3.2.1.02,4]octanyl)benzamide has a molecular weight of 324.19 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-fluoro-N-(3-tricyclo[3.2.1.02,4]octanyl)benzamide is sourced from PubChem (CID 103767098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).