3-[4-(2-azabicyclo[2.2.1]heptan-6-ylcarbamoyl)phenoxy]benzamide

C20H21N3O3 — CID 22573467

IUPAC3-[4-(2-azabicyclo[2.2.1]heptan-6-ylcarbamoyl)phenoxy]benzamide
SMILESNC(=O)c1cccc(Oc2ccc(C(=O)NC3CC4CNC3C4)cc2)c1
InChIInChI=1S/C20H21N3O3/c21-19(24)14-2-1-3-16(10-14)26-15-6-4-13(5-7-15)20(25)23-18-9-12-8-17(18)22-11-12/h1-7,10,12,17-18,22H,8-9,11H2,(H2,21,24)(H,23,25)
InChIKeySGLZRQGAQBOZCB-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.06
Rot. Bonds5

About 3-[4-(2-azabicyclo[2.2.1]heptan-6-ylcarbamoyl)phenoxy]benzamide

3-[4-(2-azabicyclo[2.2.1]heptan-6-ylcarbamoyl)phenoxy]benzamide (PubChem CID 22573467) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 3-[4-(2-azabicyclo[2.2.1]heptan-6-ylcarbamoyl)phenoxy]benzamide.

Molecular Properties

Compound Name3-[4-(2-azabicyclo[2.2.1]heptan-6-ylcarbamoyl)phenoxy]benzamide
PubChem CID22573467
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name3-[4-(2-azabicyclo[2.2.1]heptan-6-ylcarbamoyl)phenoxy]benzamide
SMILESNC(=O)c1cccc(Oc2ccc(C(=O)NC3CC4CNC3C4)cc2)c1
InChIInChI=1S/C20H21N3O3/c21-19(24)14-2-1-3-16(10-14)26-15-6-4-13(5-7-15)20(25)23-18-9-12-8-17(18)22-11-12/h1-7,10,12,17-18,22H,8-9,11H2,(H2,21,24)(H,23,25)
InChIKeySGLZRQGAQBOZCB-UHFFFAOYSA-N
XLogP2.06
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-azabicyclo[2.2.1]heptan-6-ylcarbamoyl)phenoxy]benzamide?
The IUPAC name of 3-[4-(2-azabicyclo[2.2.1]heptan-6-ylcarbamoyl)phenoxy]benzamide (CID 22573467) is 3-[4-(2-azabicyclo[2.2.1]heptan-6-ylcarbamoyl)phenoxy]benzamide.
What is the SMILES notation for 3-[4-(2-azabicyclo[2.2.1]heptan-6-ylcarbamoyl)phenoxy]benzamide?
The canonical SMILES for 3-[4-(2-azabicyclo[2.2.1]heptan-6-ylcarbamoyl)phenoxy]benzamide is NC(=O)c1cccc(Oc2ccc(C(=O)NC3CC4CNC3C4)cc2)c1.
What is the InChIKey of 3-[4-(2-azabicyclo[2.2.1]heptan-6-ylcarbamoyl)phenoxy]benzamide?
The InChIKey is SGLZRQGAQBOZCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c21-19(24)14-2-1-3-16(10-14)26-15-6-4-13(5-7-15)20(25)23-18-9-12-8-17(18)22-11-12/h1-7,10,12,17-18,22H,8-9,11H2,(H2,21,24)(H,23,25).
What are the key properties of 3-[4-(2-azabicyclo[2.2.1]heptan-6-ylcarbamoyl)phenoxy]benzamide?
3-[4-(2-azabicyclo[2.2.1]heptan-6-ylcarbamoyl)phenoxy]benzamide has a molecular weight of 351.41 g/mol, XLogP of 2.06, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-azabicyclo[2.2.1]heptan-6-ylcarbamoyl)phenoxy]benzamide is sourced from PubChem (CID 22573467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).