4-(4-acetylphenoxy)-N-(2-azabicyclo[2.2.1]heptan-6-yl)benzamide

C21H22N2O3 — CID 22573564

IUPAC4-(4-acetylphenoxy)-N-(2-azabicyclo[2.2.1]heptan-6-yl)benzamide
SMILESCC(=O)c1ccc(Oc2ccc(C(=O)NC3CC4CNC3C4)cc2)cc1
InChIInChI=1S/C21H22N2O3/c1-13(24)15-2-6-17(7-3-15)26-18-8-4-16(5-9-18)21(25)23-20-11-14-10-19(20)22-12-14/h2-9,14,19-20,22H,10-12H2,1H3,(H,23,25)
InChIKeyVYTBPKWUFBZLJM-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.16
Rot. Bonds5

About 4-(4-acetylphenoxy)-N-(2-azabicyclo[2.2.1]heptan-6-yl)benzamide

4-(4-acetylphenoxy)-N-(2-azabicyclo[2.2.1]heptan-6-yl)benzamide (PubChem CID 22573564) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is 4-(4-acetylphenoxy)-N-(2-azabicyclo[2.2.1]heptan-6-yl)benzamide.

Molecular Properties

Compound Name4-(4-acetylphenoxy)-N-(2-azabicyclo[2.2.1]heptan-6-yl)benzamide
PubChem CID22573564
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Name4-(4-acetylphenoxy)-N-(2-azabicyclo[2.2.1]heptan-6-yl)benzamide
SMILESCC(=O)c1ccc(Oc2ccc(C(=O)NC3CC4CNC3C4)cc2)cc1
InChIInChI=1S/C21H22N2O3/c1-13(24)15-2-6-17(7-3-15)26-18-8-4-16(5-9-18)21(25)23-20-11-14-10-19(20)22-12-14/h2-9,14,19-20,22H,10-12H2,1H3,(H,23,25)
InChIKeyVYTBPKWUFBZLJM-UHFFFAOYSA-N
XLogP3.16
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-acetylphenoxy)-N-(2-azabicyclo[2.2.1]heptan-6-yl)benzamide?
The IUPAC name of 4-(4-acetylphenoxy)-N-(2-azabicyclo[2.2.1]heptan-6-yl)benzamide (CID 22573564) is 4-(4-acetylphenoxy)-N-(2-azabicyclo[2.2.1]heptan-6-yl)benzamide.
What is the SMILES notation for 4-(4-acetylphenoxy)-N-(2-azabicyclo[2.2.1]heptan-6-yl)benzamide?
The canonical SMILES for 4-(4-acetylphenoxy)-N-(2-azabicyclo[2.2.1]heptan-6-yl)benzamide is CC(=O)c1ccc(Oc2ccc(C(=O)NC3CC4CNC3C4)cc2)cc1.
What is the InChIKey of 4-(4-acetylphenoxy)-N-(2-azabicyclo[2.2.1]heptan-6-yl)benzamide?
The InChIKey is VYTBPKWUFBZLJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-13(24)15-2-6-17(7-3-15)26-18-8-4-16(5-9-18)21(25)23-20-11-14-10-19(20)22-12-14/h2-9,14,19-20,22H,10-12H2,1H3,(H,23,25).
What are the key properties of 4-(4-acetylphenoxy)-N-(2-azabicyclo[2.2.1]heptan-6-yl)benzamide?
4-(4-acetylphenoxy)-N-(2-azabicyclo[2.2.1]heptan-6-yl)benzamide has a molecular weight of 350.42 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetylphenoxy)-N-(2-azabicyclo[2.2.1]heptan-6-yl)benzamide is sourced from PubChem (CID 22573564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).