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

C19H26F2N2O2 — CID 139383292

IUPAC3-[3-(3,3-difluoropropyl)-9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl]benzamide
SMILESCOC1(c2cccc(C(N)=O)c2)C2CCCC1CN(CCC(F)F)C2
InChIInChI=1S/C19H26F2N2O2/c1-25-19(14-5-2-4-13(10-14)18(22)24)15-6-3-7-16(19)12-23(11-15)9-8-17(20)21/h2,4-5,10,15-17H,3,6-9,11-12H2,1H3,(H2,22,24)
InChIKeyTVJTZXWZTLDOIB-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.01
Rot. Bonds6

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

3-[3-(3,3-difluoropropyl)-9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl]benzamide (PubChem CID 139383292) has the molecular formula C19H26F2N2O2 and a molecular weight of 352.43 g/mol. Its IUPAC name is 3-[3-(3,3-difluoropropyl)-9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl]benzamide.

Molecular Properties

Compound Name3-[3-(3,3-difluoropropyl)-9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl]benzamide
PubChem CID139383292
Molecular FormulaC19H26F2N2O2
Molecular Weight352.43 g/mol
Exact Mass352.20
IUPAC Name3-[3-(3,3-difluoropropyl)-9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl]benzamide
SMILESCOC1(c2cccc(C(N)=O)c2)C2CCCC1CN(CCC(F)F)C2
InChIInChI=1S/C19H26F2N2O2/c1-25-19(14-5-2-4-13(10-14)18(22)24)15-6-3-7-16(19)12-23(11-15)9-8-17(20)21/h2,4-5,10,15-17H,3,6-9,11-12H2,1H3,(H2,22,24)
InChIKeyTVJTZXWZTLDOIB-UHFFFAOYSA-N
XLogP3.01
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

rel-3-((1R,2R)-2-((dimethylamino)methyl)-1-hydroxycyclohexyl)benzamide
CID 11521945
3-((1R,5S,9r)-3-((1-fluorocyclopropyl)methyl)-9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl)benzamide hydrochloride
CID 139383186
3-((1R,5S,9r)-3-(3-fluoropropyl)-9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl)benzamide hydrochloride
CID 139383278
3-((1R,5S,9R)-3-((1R,3r,5S)-6,6-difluorobicyclo[3.1.0]hexan-3-yl)-9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl)benzamide hydrochloride
CID 139383428
3-((1R,5S,9r)-3-(4,4-difluorocyclohexyl)-9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl)benzamide hydrochloride
CID 139383540
3-((1R,5S,9r)-9-methoxy-3-(3,3,3-trifluoropropyl)-3-azabicyclo[3.3.1]nonan-9-yl)benzamide hydrochloride
CID 139387223
Synthesis of (1R,5S,9r)-9-(3-iodophenyl)-3-methyl-9-(2,2,2-trifluoroethoxy)-3-azabicyclo[3.3.1]nonane
CID 139383512
Synthesis of 2-fluoro-3-((1R,5S,9r)-9-methoxy-3-methyl-3-azabicyclo[3.3.1]nonan-9-yl)phenyl trifluoromethanesulfonate
CID 139383548
Synthesis of (1R,5S,9r)-3-(cyclopropylmethyl)-9-ethoxy-9-(3-iodophenyl)-3-azabicyclo[3.3.1]nonane
CID 139383175
Synthesis of 1-((tetrahydro-2H-pyran-2-yl)oxy)cyclopropanecarboxylic acid
CID 139383180
Synthesis of 3-((1R,5S,9r)-3-cyclobutyl-9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl)benzamide hydrochloride
CID 139383182
3-((1R,5S,9r)-9-methoxy-3-propyl-3-azabicyclo[3.3.1]nonan-9-yl)benzamide hydrochloride
CID 139383193

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3,3-difluoropropyl)-9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl]benzamide?
The IUPAC name of 3-[3-(3,3-difluoropropyl)-9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl]benzamide (CID 139383292) is 3-[3-(3,3-difluoropropyl)-9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl]benzamide.
What is the SMILES notation for 3-[3-(3,3-difluoropropyl)-9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl]benzamide?
The canonical SMILES for 3-[3-(3,3-difluoropropyl)-9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl]benzamide is COC1(c2cccc(C(N)=O)c2)C2CCCC1CN(CCC(F)F)C2.
What is the InChIKey of 3-[3-(3,3-difluoropropyl)-9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl]benzamide?
The InChIKey is TVJTZXWZTLDOIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26F2N2O2/c1-25-19(14-5-2-4-13(10-14)18(22)24)15-6-3-7-16(19)12-23(11-15)9-8-17(20)21/h2,4-5,10,15-17H,3,6-9,11-12H2,1H3,(H2,22,24).
What are the key properties of 3-[3-(3,3-difluoropropyl)-9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl]benzamide?
3-[3-(3,3-difluoropropyl)-9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl]benzamide has a molecular weight of 352.43 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3,3-difluoropropyl)-9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl]benzamide is sourced from PubChem (CID 139383292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).