2-fluoro-3-(9-methoxy-3-methyl-3-azabicyclo[3.3.1]nonan-9-yl)benzamide

C17H23FN2O2 — CID 139383548

IUPAC2-fluoro-3-(9-methoxy-3-methyl-3-azabicyclo[3.3.1]nonan-9-yl)benzamide
SMILESCOC1(c2cccc(C(N)=O)c2F)C2CCCC1CN(C)C2
InChIInChI=1S/C17H23FN2O2/c1-20-9-11-5-3-6-12(10-20)17(11,22-2)14-8-4-7-13(15(14)18)16(19)21/h4,7-8,11-12H,3,5-6,9-10H2,1-2H3,(H2,19,21)
InChIKeyHRGFRFALZOMBIJ-UHFFFAOYSA-N
MW306.38 g/mol
LogP2.13
Rot. Bonds3

About 2-fluoro-3-(9-methoxy-3-methyl-3-azabicyclo[3.3.1]nonan-9-yl)benzamide

2-fluoro-3-(9-methoxy-3-methyl-3-azabicyclo[3.3.1]nonan-9-yl)benzamide (PubChem CID 139383548) has the molecular formula C17H23FN2O2 and a molecular weight of 306.38 g/mol. Its IUPAC name is 2-fluoro-3-(9-methoxy-3-methyl-3-azabicyclo[3.3.1]nonan-9-yl)benzamide.

Molecular Properties

Compound Name2-fluoro-3-(9-methoxy-3-methyl-3-azabicyclo[3.3.1]nonan-9-yl)benzamide
PubChem CID139383548
Molecular FormulaC17H23FN2O2
Molecular Weight306.38 g/mol
Exact Mass306.17
IUPAC Name2-fluoro-3-(9-methoxy-3-methyl-3-azabicyclo[3.3.1]nonan-9-yl)benzamide
SMILESCOC1(c2cccc(C(N)=O)c2F)C2CCCC1CN(C)C2
InChIInChI=1S/C17H23FN2O2/c1-20-9-11-5-3-6-12(10-20)17(11,22-2)14-8-4-7-13(15(14)18)16(19)21/h4,7-8,11-12H,3,5-6,9-10H2,1-2H3,(H2,19,21)
InChIKeyHRGFRFALZOMBIJ-UHFFFAOYSA-N
XLogP2.13
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-(9-methoxy-3-methyl-3-azabicyclo[3.3.1]nonan-9-yl)benzamide?
The IUPAC name of 2-fluoro-3-(9-methoxy-3-methyl-3-azabicyclo[3.3.1]nonan-9-yl)benzamide (CID 139383548) is 2-fluoro-3-(9-methoxy-3-methyl-3-azabicyclo[3.3.1]nonan-9-yl)benzamide.
What is the SMILES notation for 2-fluoro-3-(9-methoxy-3-methyl-3-azabicyclo[3.3.1]nonan-9-yl)benzamide?
The canonical SMILES for 2-fluoro-3-(9-methoxy-3-methyl-3-azabicyclo[3.3.1]nonan-9-yl)benzamide is COC1(c2cccc(C(N)=O)c2F)C2CCCC1CN(C)C2.
What is the InChIKey of 2-fluoro-3-(9-methoxy-3-methyl-3-azabicyclo[3.3.1]nonan-9-yl)benzamide?
The InChIKey is HRGFRFALZOMBIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O2/c1-20-9-11-5-3-6-12(10-20)17(11,22-2)14-8-4-7-13(15(14)18)16(19)21/h4,7-8,11-12H,3,5-6,9-10H2,1-2H3,(H2,19,21).
What are the key properties of 2-fluoro-3-(9-methoxy-3-methyl-3-azabicyclo[3.3.1]nonan-9-yl)benzamide?
2-fluoro-3-(9-methoxy-3-methyl-3-azabicyclo[3.3.1]nonan-9-yl)benzamide has a molecular weight of 306.38 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-(9-methoxy-3-methyl-3-azabicyclo[3.3.1]nonan-9-yl)benzamide is sourced from PubChem (CID 139383548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).