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

C21H22FNO2 — CID 122255284

IUPAC[4-(4-fluorophenyl)phenyl]-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
SMILESCOC1CC2CCC(C1)N2C(=O)c1ccc(-c2ccc(F)cc2)cc1
InChIInChI=1S/C21H22FNO2/c1-25-20-12-18-10-11-19(13-20)23(18)21(24)16-4-2-14(3-5-16)15-6-8-17(22)9-7-15/h2-9,18-20H,10-13H2,1H3
InChIKeySZJQWQIWVJAUCU-UHFFFAOYSA-N
MW339.41 g/mol
LogP4.27
Rot. Bonds3

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

[4-(4-fluorophenyl)phenyl]-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)methanone (PubChem CID 122255284) has the molecular formula C21H22FNO2 and a molecular weight of 339.41 g/mol. Its IUPAC name is [4-(4-fluorophenyl)phenyl]-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)methanone.

Molecular Properties

Compound Name[4-(4-fluorophenyl)phenyl]-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
PubChem CID122255284
Molecular FormulaC21H22FNO2
Molecular Weight339.41 g/mol
Exact Mass339.16
IUPAC Name[4-(4-fluorophenyl)phenyl]-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
SMILESCOC1CC2CCC(C1)N2C(=O)c1ccc(-c2ccc(F)cc2)cc1
InChIInChI=1S/C21H22FNO2/c1-25-20-12-18-10-11-19(13-20)23(18)21(24)16-4-2-14(3-5-16)15-6-8-17(22)9-7-15/h2-9,18-20H,10-13H2,1H3
InChIKeySZJQWQIWVJAUCU-UHFFFAOYSA-N
XLogP4.27
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.41
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)phenyl]-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)methanone?
The IUPAC name of [4-(4-fluorophenyl)phenyl]-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)methanone (CID 122255284) is [4-(4-fluorophenyl)phenyl]-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)methanone.
What is the SMILES notation for [4-(4-fluorophenyl)phenyl]-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)methanone?
The canonical SMILES for [4-(4-fluorophenyl)phenyl]-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)methanone is COC1CC2CCC(C1)N2C(=O)c1ccc(-c2ccc(F)cc2)cc1.
What is the InChIKey of [4-(4-fluorophenyl)phenyl]-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)methanone?
The InChIKey is SZJQWQIWVJAUCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FNO2/c1-25-20-12-18-10-11-19(13-20)23(18)21(24)16-4-2-14(3-5-16)15-6-8-17(22)9-7-15/h2-9,18-20H,10-13H2,1H3.
What are the key properties of [4-(4-fluorophenyl)phenyl]-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)methanone?
[4-(4-fluorophenyl)phenyl]-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)methanone has a molecular weight of 339.41 g/mol, XLogP of 4.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)phenyl]-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)methanone is sourced from PubChem (CID 122255284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).