[3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-(4-methoxy-3-methylphenyl)methanone

C22H24FNO2 — CID 77401889

IUPAC[3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-(4-methoxy-3-methylphenyl)methanone
SMILESCOc1ccc(C(=O)N2C3CCC2CC(c2ccc(F)cc2)C3)cc1C
InChIInChI=1S/C22H24FNO2/c1-14-11-16(5-10-21(14)26-2)22(25)24-19-8-9-20(24)13-17(12-19)15-3-6-18(23)7-4-15/h3-7,10-11,17,19-20H,8-9,12-13H2,1-2H3
InChIKeyQJNYGTUZDXPCLT-UHFFFAOYSA-N
MW353.44 g/mol
LogP4.69
Rot. Bonds3

About [3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-(4-methoxy-3-methylphenyl)methanone

[3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-(4-methoxy-3-methylphenyl)methanone (PubChem CID 77401889) has the molecular formula C22H24FNO2 and a molecular weight of 353.44 g/mol. Its IUPAC name is [3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-(4-methoxy-3-methylphenyl)methanone.

Molecular Properties

Compound Name[3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-(4-methoxy-3-methylphenyl)methanone
PubChem CID77401889
Molecular FormulaC22H24FNO2
Molecular Weight353.44 g/mol
Exact Mass353.18
IUPAC Name[3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-(4-methoxy-3-methylphenyl)methanone
SMILESCOc1ccc(C(=O)N2C3CCC2CC(c2ccc(F)cc2)C3)cc1C
InChIInChI=1S/C22H24FNO2/c1-14-11-16(5-10-21(14)26-2)22(25)24-19-8-9-20(24)13-17(12-19)15-3-6-18(23)7-4-15/h3-7,10-11,17,19-20H,8-9,12-13H2,1-2H3
InChIKeyQJNYGTUZDXPCLT-UHFFFAOYSA-N
XLogP4.69
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-(4-methoxy-3-methylphenyl)methanone?
The IUPAC name of [3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-(4-methoxy-3-methylphenyl)methanone (CID 77401889) is [3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-(4-methoxy-3-methylphenyl)methanone.
What is the SMILES notation for [3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-(4-methoxy-3-methylphenyl)methanone?
The canonical SMILES for [3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-(4-methoxy-3-methylphenyl)methanone is COc1ccc(C(=O)N2C3CCC2CC(c2ccc(F)cc2)C3)cc1C.
What is the InChIKey of [3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-(4-methoxy-3-methylphenyl)methanone?
The InChIKey is QJNYGTUZDXPCLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FNO2/c1-14-11-16(5-10-21(14)26-2)22(25)24-19-8-9-20(24)13-17(12-19)15-3-6-18(23)7-4-15/h3-7,10-11,17,19-20H,8-9,12-13H2,1-2H3.
What are the key properties of [3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-(4-methoxy-3-methylphenyl)methanone?
[3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-(4-methoxy-3-methylphenyl)methanone has a molecular weight of 353.44 g/mol, XLogP of 4.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-(4-methoxy-3-methylphenyl)methanone is sourced from PubChem (CID 77401889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).