1-(azetidin-1-yl)-2-[2-(4-fluorophenyl)-2-adamantyl]ethanone

C21H26FNO — CID 24945563

IUPAC1-(azetidin-1-yl)-2-[2-(4-fluorophenyl)-2-adamantyl]ethanone
SMILESO=C(CC1(c2ccc(F)cc2)C2CC3CC(C2)CC1C3)N1CCC1
InChIInChI=1S/C21H26FNO/c22-19-4-2-16(3-5-19)21(13-20(24)23-6-1-7-23)17-9-14-8-15(11-17)12-18(21)10-14/h2-5,14-15,17-18H,1,6-13H2
InChIKeyWSXBNVZXVBHQTE-UHFFFAOYSA-N
MW327.44 g/mol
LogP4.14
Rot. Bonds3

About 1-(azetidin-1-yl)-2-[2-(4-fluorophenyl)-2-adamantyl]ethanone

1-(azetidin-1-yl)-2-[2-(4-fluorophenyl)-2-adamantyl]ethanone (PubChem CID 24945563) has the molecular formula C21H26FNO and a molecular weight of 327.44 g/mol. Its IUPAC name is 1-(azetidin-1-yl)-2-[2-(4-fluorophenyl)-2-adamantyl]ethanone.

Molecular Properties

Compound Name1-(azetidin-1-yl)-2-[2-(4-fluorophenyl)-2-adamantyl]ethanone
PubChem CID24945563
Molecular FormulaC21H26FNO
Molecular Weight327.44 g/mol
Exact Mass327.20
IUPAC Name1-(azetidin-1-yl)-2-[2-(4-fluorophenyl)-2-adamantyl]ethanone
SMILESO=C(CC1(c2ccc(F)cc2)C2CC3CC(C2)CC1C3)N1CCC1
InChIInChI=1S/C21H26FNO/c22-19-4-2-16(3-5-19)21(13-20(24)23-6-1-7-23)17-9-14-8-15(11-17)12-18(21)10-14/h2-5,14-15,17-18H,1,6-13H2
InChIKeyWSXBNVZXVBHQTE-UHFFFAOYSA-N
XLogP4.14
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.44
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(azetidin-1-yl)-2-[2-(4-fluorophenyl)-2-adamantyl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-1-yl)-2-[2-(4-fluorophenyl)-2-adamantyl]ethanone?
The IUPAC name of 1-(azetidin-1-yl)-2-[2-(4-fluorophenyl)-2-adamantyl]ethanone (CID 24945563) is 1-(azetidin-1-yl)-2-[2-(4-fluorophenyl)-2-adamantyl]ethanone.
What is the SMILES notation for 1-(azetidin-1-yl)-2-[2-(4-fluorophenyl)-2-adamantyl]ethanone?
The canonical SMILES for 1-(azetidin-1-yl)-2-[2-(4-fluorophenyl)-2-adamantyl]ethanone is O=C(CC1(c2ccc(F)cc2)C2CC3CC(C2)CC1C3)N1CCC1.
What is the InChIKey of 1-(azetidin-1-yl)-2-[2-(4-fluorophenyl)-2-adamantyl]ethanone?
The InChIKey is WSXBNVZXVBHQTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FNO/c22-19-4-2-16(3-5-19)21(13-20(24)23-6-1-7-23)17-9-14-8-15(11-17)12-18(21)10-14/h2-5,14-15,17-18H,1,6-13H2.
What are the key properties of 1-(azetidin-1-yl)-2-[2-(4-fluorophenyl)-2-adamantyl]ethanone?
1-(azetidin-1-yl)-2-[2-(4-fluorophenyl)-2-adamantyl]ethanone has a molecular weight of 327.44 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-1-yl)-2-[2-(4-fluorophenyl)-2-adamantyl]ethanone is sourced from PubChem (CID 24945563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).