3-[3-(3-fluoropropyl)-9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl]benzamide

C19H27FN2O2 — CID 139383278

IUPAC3-[3-(3-fluoropropyl)-9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl]benzamide
SMILESCOC1(c2cccc(C(N)=O)c2)C2CCCC1CN(CCCF)C2
InChIInChI=1S/C19H27FN2O2/c1-24-19(15-6-2-5-14(11-15)18(21)23)16-7-3-8-17(19)13-22(12-16)10-4-9-20/h2,5-6,11,16-17H,3-4,7-10,12-13H2,1H3,(H2,21,23)
InChIKeyXWQHQOJZXSGPOZ-UHFFFAOYSA-N
MW334.44 g/mol
LogP2.72
Rot. Bonds6

About 3-[3-(3-fluoropropyl)-9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl]benzamide

3-[3-(3-fluoropropyl)-9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl]benzamide (PubChem CID 139383278) has the molecular formula C19H27FN2O2 and a molecular weight of 334.44 g/mol. Its IUPAC name is 3-[3-(3-fluoropropyl)-9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl]benzamide.

Molecular Properties

Compound Name3-[3-(3-fluoropropyl)-9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl]benzamide
PubChem CID139383278
Molecular FormulaC19H27FN2O2
Molecular Weight334.44 g/mol
Exact Mass334.21
IUPAC Name3-[3-(3-fluoropropyl)-9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl]benzamide
SMILESCOC1(c2cccc(C(N)=O)c2)C2CCCC1CN(CCCF)C2
InChIInChI=1S/C19H27FN2O2/c1-24-19(15-6-2-5-14(11-15)18(21)23)16-7-3-8-17(19)13-22(12-16)10-4-9-20/h2,5-6,11,16-17H,3-4,7-10,12-13H2,1H3,(H2,21,23)
InChIKeyXWQHQOJZXSGPOZ-UHFFFAOYSA-N
XLogP2.72
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[3-(3-fluoropropyl)-9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-fluoropropyl)-9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl]benzamide?
The IUPAC name of 3-[3-(3-fluoropropyl)-9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl]benzamide (CID 139383278) is 3-[3-(3-fluoropropyl)-9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl]benzamide.
What is the SMILES notation for 3-[3-(3-fluoropropyl)-9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl]benzamide?
The canonical SMILES for 3-[3-(3-fluoropropyl)-9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl]benzamide is COC1(c2cccc(C(N)=O)c2)C2CCCC1CN(CCCF)C2.
What is the InChIKey of 3-[3-(3-fluoropropyl)-9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl]benzamide?
The InChIKey is XWQHQOJZXSGPOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN2O2/c1-24-19(15-6-2-5-14(11-15)18(21)23)16-7-3-8-17(19)13-22(12-16)10-4-9-20/h2,5-6,11,16-17H,3-4,7-10,12-13H2,1H3,(H2,21,23).
What are the key properties of 3-[3-(3-fluoropropyl)-9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl]benzamide?
3-[3-(3-fluoropropyl)-9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl]benzamide has a molecular weight of 334.44 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-fluoropropyl)-9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl]benzamide is sourced from PubChem (CID 139383278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).