N-(8-azabicyclo[3.2.1]octan-3-yl)-2-fluoro-5-methylbenzamide;hydrochloride

C15H20ClFN2O — CID 119456958

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-2-fluoro-5-methylbenzamide;hydrochloride
SMILESCc1ccc(F)c(C(=O)NC2CC3CCC(C2)N3)c1.Cl
InChIInChI=1S/C15H19FN2O.ClH/c1-9-2-5-14(16)13(6-9)15(19)18-12-7-10-3-4-11(8-12)17-10;/h2,5-6,10-12,17H,3-4,7-8H2,1H3,(H,18,19);1H
InChIKeyUUFDBDYEVWRVLE-UHFFFAOYSA-N
MW298.79 g/mol
LogP2.57
Rot. Bonds2

About N-(8-azabicyclo[3.2.1]octan-3-yl)-2-fluoro-5-methylbenzamide;hydrochloride

N-(8-azabicyclo[3.2.1]octan-3-yl)-2-fluoro-5-methylbenzamide;hydrochloride (PubChem CID 119456958) has the molecular formula C15H20ClFN2O and a molecular weight of 298.79 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-2-fluoro-5-methylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-2-fluoro-5-methylbenzamide;hydrochloride
PubChem CID119456958
Molecular FormulaC15H20ClFN2O
Molecular Weight298.79 g/mol
Exact Mass298.12
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-2-fluoro-5-methylbenzamide;hydrochloride
SMILESCc1ccc(F)c(C(=O)NC2CC3CCC(C2)N3)c1.Cl
InChIInChI=1S/C15H19FN2O.ClH/c1-9-2-5-14(16)13(6-9)15(19)18-12-7-10-3-4-11(8-12)17-10;/h2,5-6,10-12,17H,3-4,7-8H2,1H3,(H,18,19);1H
InChIKeyUUFDBDYEVWRVLE-UHFFFAOYSA-N
XLogP2.57
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.79
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 119387686
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CID 119451435
2-fluoro-5-methyl-N-[4-(methylamino)cyclohexyl]benzamide
CID 62515661
N-(8-azabicyclo[3.2.1]octan-3-yl)-5-methyl-2-nitrobenzamide
CID 65461644
N-(4-aminocyclohexyl)-2-fluoro-5-methylbenzamide;hydrochloride
CID 119476329
N-(1,1-dioxothian-4-yl)-2-fluoro-5-methylbenzamide
CID 62509384
N-(4-chlorocyclohexyl)-2-fluoro-5-methylbenzamide
CID 113271582
2-fluoro-N-(4-hydroxycyclohexyl)-5-methylbenzamide
CID 62508927
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-fluoro-5-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride
CID 119459042
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-fluoro-4-(4-fluorophenyl)benzamide;hydrochloride
CID 119456066
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-methyl-1H-pyrrole-3-carboxamide;hydrochloride
CID 119459094
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-fluoro-2-iodobenzamide;hydrochloride
CID 119459355

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-fluoro-5-methylbenzamide;hydrochloride?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-fluoro-5-methylbenzamide;hydrochloride (CID 119456958) is N-(8-azabicyclo[3.2.1]octan-3-yl)-2-fluoro-5-methylbenzamide;hydrochloride.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-2-fluoro-5-methylbenzamide;hydrochloride?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-2-fluoro-5-methylbenzamide;hydrochloride is Cc1ccc(F)c(C(=O)NC2CC3CCC(C2)N3)c1.Cl.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-fluoro-5-methylbenzamide;hydrochloride?
The InChIKey is UUFDBDYEVWRVLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O.ClH/c1-9-2-5-14(16)13(6-9)15(19)18-12-7-10-3-4-11(8-12)17-10;/h2,5-6,10-12,17H,3-4,7-8H2,1H3,(H,18,19);1H.
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-fluoro-5-methylbenzamide;hydrochloride?
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-fluoro-5-methylbenzamide;hydrochloride has a molecular weight of 298.79 g/mol, XLogP of 2.57, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-2-fluoro-5-methylbenzamide;hydrochloride is sourced from PubChem (CID 119456958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).