4-(3-fluorophenoxy)-N-(6-methyl-1-azabicyclo[2.2.2]octan-3-yl)benzamide

C21H23FN2O2 — CID 10308998

IUPAC4-(3-fluorophenoxy)-N-(6-methyl-1-azabicyclo[2.2.2]octan-3-yl)benzamide
SMILESCC1CC2CCN1CC2NC(=O)c1ccc(Oc2cccc(F)c2)cc1
InChIInChI=1S/C21H23FN2O2/c1-14-11-16-9-10-24(14)13-20(16)23-21(25)15-5-7-18(8-6-15)26-19-4-2-3-17(22)12-19/h2-8,12,14,16,20H,9-11,13H2,1H3,(H,23,25)
InChIKeyJLUFPWUJZSYSTQ-UHFFFAOYSA-N
MW354.43 g/mol
LogP3.83
Rot. Bonds4

About 4-(3-fluorophenoxy)-N-(6-methyl-1-azabicyclo[2.2.2]octan-3-yl)benzamide

4-(3-fluorophenoxy)-N-(6-methyl-1-azabicyclo[2.2.2]octan-3-yl)benzamide (PubChem CID 10308998) has the molecular formula C21H23FN2O2 and a molecular weight of 354.43 g/mol. Its IUPAC name is 4-(3-fluorophenoxy)-N-(6-methyl-1-azabicyclo[2.2.2]octan-3-yl)benzamide.

Molecular Properties

Compound Name4-(3-fluorophenoxy)-N-(6-methyl-1-azabicyclo[2.2.2]octan-3-yl)benzamide
PubChem CID10308998
Molecular FormulaC21H23FN2O2
Molecular Weight354.43 g/mol
Exact Mass354.17
IUPAC Name4-(3-fluorophenoxy)-N-(6-methyl-1-azabicyclo[2.2.2]octan-3-yl)benzamide
SMILESCC1CC2CCN1CC2NC(=O)c1ccc(Oc2cccc(F)c2)cc1
InChIInChI=1S/C21H23FN2O2/c1-14-11-16-9-10-24(14)13-20(16)23-21(25)15-5-7-18(8-6-15)26-19-4-2-3-17(22)12-19/h2-8,12,14,16,20H,9-11,13H2,1H3,(H,23,25)
InChIKeyJLUFPWUJZSYSTQ-UHFFFAOYSA-N
XLogP3.83
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-chloro-2-pyridinyl)oxy]-N-(6-methyl-1-azabicyclo[2.2.2]octan-3-yl)benzamide
CID 22573635
N-(6-methyl-1-azabicyclo[2.2.2]octan-3-yl)-4-(1,3-oxazol-2-yloxy)benzamide
CID 10149827
N-(6-methyl-1-azabicyclo[2.2.2]octan-3-yl)-4-(1,3-thiazol-2-yloxy)benzamide
CID 10172198
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-4-(3-methoxyphenoxy)benzamide
CID 10154995
3-[4-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]carbamoyl]phenoxy]benzamide
CID 18337457
N-(1-azabicyclo[2.2.1]heptan-3-yl)-4-phenoxybenzamide
CID 22573649
4-(4-fluorophenoxy)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)benzamide
CID 18383576
N-(6-methyl-1-azabicyclo[2.2.2]octan-3-yl)-4-(3H-1,2-thiazol-2-ylsulfanyl)benzamide
CID 22573257
N-(1-azabicyclo[2.2.2]octan-3-yl)-4-(3-fluorophenyl)benzamide
CID 67326377
4-tert-butyl-N-[4-(3-fluorophenoxy)phenyl]benzamide
CID 142594929
4-fluoro-N-[(1R,2S,3R,4R)-4-(3-fluorophenoxy)-2,3-dihydroxycyclohexyl]benzamide
CID 110157998
N-(1-azabicyclo[2.2.1]heptan-3-yl)-4-(4-chlorophenoxy)benzamide
CID 22573492

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenoxy)-N-(6-methyl-1-azabicyclo[2.2.2]octan-3-yl)benzamide?
The IUPAC name of 4-(3-fluorophenoxy)-N-(6-methyl-1-azabicyclo[2.2.2]octan-3-yl)benzamide (CID 10308998) is 4-(3-fluorophenoxy)-N-(6-methyl-1-azabicyclo[2.2.2]octan-3-yl)benzamide.
What is the SMILES notation for 4-(3-fluorophenoxy)-N-(6-methyl-1-azabicyclo[2.2.2]octan-3-yl)benzamide?
The canonical SMILES for 4-(3-fluorophenoxy)-N-(6-methyl-1-azabicyclo[2.2.2]octan-3-yl)benzamide is CC1CC2CCN1CC2NC(=O)c1ccc(Oc2cccc(F)c2)cc1.
What is the InChIKey of 4-(3-fluorophenoxy)-N-(6-methyl-1-azabicyclo[2.2.2]octan-3-yl)benzamide?
The InChIKey is JLUFPWUJZSYSTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O2/c1-14-11-16-9-10-24(14)13-20(16)23-21(25)15-5-7-18(8-6-15)26-19-4-2-3-17(22)12-19/h2-8,12,14,16,20H,9-11,13H2,1H3,(H,23,25).
What are the key properties of 4-(3-fluorophenoxy)-N-(6-methyl-1-azabicyclo[2.2.2]octan-3-yl)benzamide?
4-(3-fluorophenoxy)-N-(6-methyl-1-azabicyclo[2.2.2]octan-3-yl)benzamide has a molecular weight of 354.43 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenoxy)-N-(6-methyl-1-azabicyclo[2.2.2]octan-3-yl)benzamide is sourced from PubChem (CID 10308998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).