4-[(5-acetyl-1H-pyrrol-2-yl)oxy]-N-(1-azabicyclo[2.2.2]octan-3-yl)benzamide

C20H23N3O3 — CID 18383494

IUPAC4-[(5-acetyl-1H-pyrrol-2-yl)oxy]-N-(1-azabicyclo[2.2.2]octan-3-yl)benzamide
SMILESCC(=O)c1ccc(Oc2ccc(C(=O)NC3CN4CCC3CC4)cc2)[nH]1
InChIInChI=1S/C20H23N3O3/c1-13(24)17-6-7-19(21-17)26-16-4-2-15(3-5-16)20(25)22-18-12-23-10-8-14(18)9-11-23/h2-7,14,18,21H,8-12H2,1H3,(H,22,25)
InChIKeyGAZYSBMHLWDTOJ-UHFFFAOYSA-N
MW353.42 g/mol
LogP2.83
Rot. Bonds5

About 4-[(5-acetyl-1H-pyrrol-2-yl)oxy]-N-(1-azabicyclo[2.2.2]octan-3-yl)benzamide

4-[(5-acetyl-1H-pyrrol-2-yl)oxy]-N-(1-azabicyclo[2.2.2]octan-3-yl)benzamide (PubChem CID 18383494) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 4-[(5-acetyl-1H-pyrrol-2-yl)oxy]-N-(1-azabicyclo[2.2.2]octan-3-yl)benzamide.

Molecular Properties

Compound Name4-[(5-acetyl-1H-pyrrol-2-yl)oxy]-N-(1-azabicyclo[2.2.2]octan-3-yl)benzamide
PubChem CID18383494
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name4-[(5-acetyl-1H-pyrrol-2-yl)oxy]-N-(1-azabicyclo[2.2.2]octan-3-yl)benzamide
SMILESCC(=O)c1ccc(Oc2ccc(C(=O)NC3CN4CCC3CC4)cc2)[nH]1
InChIInChI=1S/C20H23N3O3/c1-13(24)17-6-7-19(21-17)26-16-4-2-15(3-5-16)20(25)22-18-12-23-10-8-14(18)9-11-23/h2-7,14,18,21H,8-12H2,1H3,(H,22,25)
InChIKeyGAZYSBMHLWDTOJ-UHFFFAOYSA-N
XLogP2.83
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(6-acetyl-2-pyridinyl)oxy]-N-(1-azabicyclo[2.2.2]octan-3-yl)benzamide
CID 18383723
N-(1-azabicyclo[2.2.2]octan-3-yl)-4-[(5-methoxy-1,3,4-thiadiazol-2-yl)oxy]benzamide
CID 18383785
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-4-(3-methoxyphenoxy)benzamide
CID 10154995
4-[(6-acetamido-3-pyridinyl)oxy]-N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]benzamide
CID 22897176
N-(1-azabicyclo[2.2.2]octan-3-yl)-4-[(5-methoxy-1,3,4-oxadiazol-2-yl)oxy]benzamide
CID 18383923
N-(1-azabicyclo[2.2.2]octan-3-yl)-4-propoxybenzamide
CID 5136899
N-(1-azabicyclo[2.2.1]heptan-3-yl)-4-phenoxybenzamide
CID 22573649
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-4-(125I)iodo(125I)benzamide
CID 11325679
4-[(4-acetamido-2-pyridinyl)oxy]-N-(1-azabicyclo[2.2.2]octan-3-yl)benzamide
CID 18383298
N-(1-azabicyclo[2.2.1]heptan-3-yl)-4-(5-methylfuran-2-yl)oxybenzamide
CID 22573289
N-(1-azabicyclo[2.2.2]octan-3-yl)-4-(2-sulfamoylphenoxy)benzamide
CID 18383961
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-[(5-acetyl-1H-pyrrol-2-yl)oxy]-N-(1-azabicyclo[2.2.2]octan-3-yl)benzamide?
The IUPAC name of 4-[(5-acetyl-1H-pyrrol-2-yl)oxy]-N-(1-azabicyclo[2.2.2]octan-3-yl)benzamide (CID 18383494) is 4-[(5-acetyl-1H-pyrrol-2-yl)oxy]-N-(1-azabicyclo[2.2.2]octan-3-yl)benzamide.
What is the SMILES notation for 4-[(5-acetyl-1H-pyrrol-2-yl)oxy]-N-(1-azabicyclo[2.2.2]octan-3-yl)benzamide?
The canonical SMILES for 4-[(5-acetyl-1H-pyrrol-2-yl)oxy]-N-(1-azabicyclo[2.2.2]octan-3-yl)benzamide is CC(=O)c1ccc(Oc2ccc(C(=O)NC3CN4CCC3CC4)cc2)[nH]1.
What is the InChIKey of 4-[(5-acetyl-1H-pyrrol-2-yl)oxy]-N-(1-azabicyclo[2.2.2]octan-3-yl)benzamide?
The InChIKey is GAZYSBMHLWDTOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-13(24)17-6-7-19(21-17)26-16-4-2-15(3-5-16)20(25)22-18-12-23-10-8-14(18)9-11-23/h2-7,14,18,21H,8-12H2,1H3,(H,22,25).
What are the key properties of 4-[(5-acetyl-1H-pyrrol-2-yl)oxy]-N-(1-azabicyclo[2.2.2]octan-3-yl)benzamide?
4-[(5-acetyl-1H-pyrrol-2-yl)oxy]-N-(1-azabicyclo[2.2.2]octan-3-yl)benzamide has a molecular weight of 353.42 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-acetyl-1H-pyrrol-2-yl)oxy]-N-(1-azabicyclo[2.2.2]octan-3-yl)benzamide is sourced from PubChem (CID 18383494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).