2-[[3-(2-azabicyclo[2.2.1]heptane-2-carbonyl)phenyl]methoxy]benzamide

C21H22N2O3 — CID 48500164

IUPAC2-[[3-(2-azabicyclo[2.2.1]heptane-2-carbonyl)phenyl]methoxy]benzamide
SMILESNC(=O)c1ccccc1OCc1cccc(C(=O)N2CC3CCC2C3)c1
InChIInChI=1S/C21H22N2O3/c22-20(24)18-6-1-2-7-19(18)26-13-15-4-3-5-16(10-15)21(25)23-12-14-8-9-17(23)11-14/h1-7,10,14,17H,8-9,11-13H2,(H2,22,24)
InChIKeyKKJZBSDJXFCSFB-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.99
Rot. Bonds5

About 2-[[3-(2-azabicyclo[2.2.1]heptane-2-carbonyl)phenyl]methoxy]benzamide

2-[[3-(2-azabicyclo[2.2.1]heptane-2-carbonyl)phenyl]methoxy]benzamide (PubChem CID 48500164) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is 2-[[3-(2-azabicyclo[2.2.1]heptane-2-carbonyl)phenyl]methoxy]benzamide.

Molecular Properties

Compound Name2-[[3-(2-azabicyclo[2.2.1]heptane-2-carbonyl)phenyl]methoxy]benzamide
PubChem CID48500164
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Name2-[[3-(2-azabicyclo[2.2.1]heptane-2-carbonyl)phenyl]methoxy]benzamide
SMILESNC(=O)c1ccccc1OCc1cccc(C(=O)N2CC3CCC2C3)c1
InChIInChI=1S/C21H22N2O3/c22-20(24)18-6-1-2-7-19(18)26-13-15-4-3-5-16(10-15)21(25)23-12-14-8-9-17(23)11-14/h1-7,10,14,17H,8-9,11-13H2,(H2,22,24)
InChIKeyKKJZBSDJXFCSFB-UHFFFAOYSA-N
XLogP2.99
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(2-azabicyclo[2.2.1]heptane-2-carbonyl)phenyl]methoxy]benzamide?
The IUPAC name of 2-[[3-(2-azabicyclo[2.2.1]heptane-2-carbonyl)phenyl]methoxy]benzamide (CID 48500164) is 2-[[3-(2-azabicyclo[2.2.1]heptane-2-carbonyl)phenyl]methoxy]benzamide.
What is the SMILES notation for 2-[[3-(2-azabicyclo[2.2.1]heptane-2-carbonyl)phenyl]methoxy]benzamide?
The canonical SMILES for 2-[[3-(2-azabicyclo[2.2.1]heptane-2-carbonyl)phenyl]methoxy]benzamide is NC(=O)c1ccccc1OCc1cccc(C(=O)N2CC3CCC2C3)c1.
What is the InChIKey of 2-[[3-(2-azabicyclo[2.2.1]heptane-2-carbonyl)phenyl]methoxy]benzamide?
The InChIKey is KKJZBSDJXFCSFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c22-20(24)18-6-1-2-7-19(18)26-13-15-4-3-5-16(10-15)21(25)23-12-14-8-9-17(23)11-14/h1-7,10,14,17H,8-9,11-13H2,(H2,22,24).
What are the key properties of 2-[[3-(2-azabicyclo[2.2.1]heptane-2-carbonyl)phenyl]methoxy]benzamide?
2-[[3-(2-azabicyclo[2.2.1]heptane-2-carbonyl)phenyl]methoxy]benzamide has a molecular weight of 350.42 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(2-azabicyclo[2.2.1]heptane-2-carbonyl)phenyl]methoxy]benzamide is sourced from PubChem (CID 48500164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).