2-[4-[[3-(2-fluorophenyl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]methyl]-2-methoxyphenoxy]acetamide

C23H27FN2O4 — CID 46966024

IUPAC2-[4-[[3-(2-fluorophenyl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]methyl]-2-methoxyphenoxy]acetamide
SMILESCOc1cc(CN2C3CCC2CC(O)(c2ccccc2F)C3)ccc1OCC(N)=O
InChIInChI=1S/C23H27FN2O4/c1-29-21-10-15(6-9-20(21)30-14-22(25)27)13-26-16-7-8-17(26)12-23(28,11-16)18-4-2-3-5-19(18)24/h2-6,9-10,16-17,28H,7-8,11-14H2,1H3,(H2,25,27)
InChIKeyLRBUGTIHIIUDJD-UHFFFAOYSA-N
MW414.48 g/mol
LogP2.71
Rot. Bonds7

About 2-[4-[[3-(2-fluorophenyl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]methyl]-2-methoxyphenoxy]acetamide

2-[4-[[3-(2-fluorophenyl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]methyl]-2-methoxyphenoxy]acetamide (PubChem CID 46966024) has the molecular formula C23H27FN2O4 and a molecular weight of 414.48 g/mol. Its IUPAC name is 2-[4-[[3-(2-fluorophenyl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]methyl]-2-methoxyphenoxy]acetamide.

Molecular Properties

Compound Name2-[4-[[3-(2-fluorophenyl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]methyl]-2-methoxyphenoxy]acetamide
PubChem CID46966024
Molecular FormulaC23H27FN2O4
Molecular Weight414.48 g/mol
Exact Mass414.20
IUPAC Name2-[4-[[3-(2-fluorophenyl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]methyl]-2-methoxyphenoxy]acetamide
SMILESCOc1cc(CN2C3CCC2CC(O)(c2ccccc2F)C3)ccc1OCC(N)=O
InChIInChI=1S/C23H27FN2O4/c1-29-21-10-15(6-9-20(21)30-14-22(25)27)13-26-16-7-8-17(26)12-23(28,11-16)18-4-2-3-5-19(18)24/h2-6,9-10,16-17,28H,7-8,11-14H2,1H3,(H2,25,27)
InChIKeyLRBUGTIHIIUDJD-UHFFFAOYSA-N
XLogP2.71
TPSA85.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.48
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[4-[[3-(2-fluorophenyl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]methyl]-2-methoxyphenoxy]acetamide with MolForge

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Related Compounds

(1R,5S)-3-(2-fluorophenyl)-8-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 51504229
8-[(4,5-dimethoxy-2-methylphenyl)methyl]-3-(2-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 46966276
(1R,5S)-3-(4-fluorophenyl)-8-[[4-(2-hydroxyethoxy)-3-methoxyphenyl]methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 92594258
2-[4-[[(2R)-2-(2-chlorophenyl)azepan-1-yl]methyl]-2-methoxyphenoxy]acetamide
CID 92878144
(1R,5S)-8-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-3-(2-methoxyphenyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 92593086
8-benzyl-3-(3,4-difluoro-5-methoxyphenyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171954789
3-(2-fluorophenyl)-8-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 16673405
8-benzyl-3-(5-fluoro-2-methoxy-3-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171960371
3-(2-fluorophenyl)-8-[(3-methoxy-2-prop-2-enoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 171671575
2-[2-methoxy-4-[[(2R)-2-[5-(pyridin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]methyl]phenoxy]acetamide
CID 95813466
9-benzyl-3-(2-methoxynaphthalen-1-yl)-9-azabicyclo[3.3.1]nonan-3-ol
CID 171957410
3-(2-fluorophenyl)-8-[(4-prop-2-ynoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 171671518

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[3-(2-fluorophenyl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]methyl]-2-methoxyphenoxy]acetamide?
The IUPAC name of 2-[4-[[3-(2-fluorophenyl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]methyl]-2-methoxyphenoxy]acetamide (CID 46966024) is 2-[4-[[3-(2-fluorophenyl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]methyl]-2-methoxyphenoxy]acetamide.
What is the SMILES notation for 2-[4-[[3-(2-fluorophenyl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]methyl]-2-methoxyphenoxy]acetamide?
The canonical SMILES for 2-[4-[[3-(2-fluorophenyl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]methyl]-2-methoxyphenoxy]acetamide is COc1cc(CN2C3CCC2CC(O)(c2ccccc2F)C3)ccc1OCC(N)=O.
What is the InChIKey of 2-[4-[[3-(2-fluorophenyl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]methyl]-2-methoxyphenoxy]acetamide?
The InChIKey is LRBUGTIHIIUDJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN2O4/c1-29-21-10-15(6-9-20(21)30-14-22(25)27)13-26-16-7-8-17(26)12-23(28,11-16)18-4-2-3-5-19(18)24/h2-6,9-10,16-17,28H,7-8,11-14H2,1H3,(H2,25,27).
What are the key properties of 2-[4-[[3-(2-fluorophenyl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]methyl]-2-methoxyphenoxy]acetamide?
2-[4-[[3-(2-fluorophenyl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]methyl]-2-methoxyphenoxy]acetamide has a molecular weight of 414.48 g/mol, XLogP of 2.71, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[3-(2-fluorophenyl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]methyl]-2-methoxyphenoxy]acetamide is sourced from PubChem (CID 46966024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).