2-[2-(4-fluorophenyl)-2-adamantyl]-1-[3-(hydroxymethyl)azetidin-1-yl]ethanone

C22H28FNO2 — CID 24945565

IUPAC2-[2-(4-fluorophenyl)-2-adamantyl]-1-[3-(hydroxymethyl)azetidin-1-yl]ethanone
SMILESO=C(CC1(c2ccc(F)cc2)C2CC3CC(C2)CC1C3)N1CC(CO)C1
InChIInChI=1S/C22H28FNO2/c23-20-3-1-17(2-4-20)22(10-21(26)24-11-16(12-24)13-25)18-6-14-5-15(8-18)9-19(22)7-14/h1-4,14-16,18-19,25H,5-13H2
InChIKeyCTMRVMRGHADDPR-UHFFFAOYSA-N
MW357.47 g/mol
LogP3.36
Rot. Bonds4

About 2-[2-(4-fluorophenyl)-2-adamantyl]-1-[3-(hydroxymethyl)azetidin-1-yl]ethanone

2-[2-(4-fluorophenyl)-2-adamantyl]-1-[3-(hydroxymethyl)azetidin-1-yl]ethanone (PubChem CID 24945565) has the molecular formula C22H28FNO2 and a molecular weight of 357.47 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)-2-adamantyl]-1-[3-(hydroxymethyl)azetidin-1-yl]ethanone.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)-2-adamantyl]-1-[3-(hydroxymethyl)azetidin-1-yl]ethanone
PubChem CID24945565
Molecular FormulaC22H28FNO2
Molecular Weight357.47 g/mol
Exact Mass357.21
IUPAC Name2-[2-(4-fluorophenyl)-2-adamantyl]-1-[3-(hydroxymethyl)azetidin-1-yl]ethanone
SMILESO=C(CC1(c2ccc(F)cc2)C2CC3CC(C2)CC1C3)N1CC(CO)C1
InChIInChI=1S/C22H28FNO2/c23-20-3-1-17(2-4-20)22(10-21(26)24-11-16(12-24)13-25)18-6-14-5-15(8-18)9-19(22)7-14/h1-4,14-16,18-19,25H,5-13H2
InChIKeyCTMRVMRGHADDPR-UHFFFAOYSA-N
XLogP3.36
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.47
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[2-(4-fluorophenyl)-2-adamantyl]-1-[3-(hydroxymethyl)azetidin-1-yl]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 2-[2-(4-fluorophenyl)-2-adamantyl]-1-[3-(hydroxymethyl)azetidin-1-yl]ethanone?
The IUPAC name of 2-[2-(4-fluorophenyl)-2-adamantyl]-1-[3-(hydroxymethyl)azetidin-1-yl]ethanone (CID 24945565) is 2-[2-(4-fluorophenyl)-2-adamantyl]-1-[3-(hydroxymethyl)azetidin-1-yl]ethanone.
What is the SMILES notation for 2-[2-(4-fluorophenyl)-2-adamantyl]-1-[3-(hydroxymethyl)azetidin-1-yl]ethanone?
The canonical SMILES for 2-[2-(4-fluorophenyl)-2-adamantyl]-1-[3-(hydroxymethyl)azetidin-1-yl]ethanone is O=C(CC1(c2ccc(F)cc2)C2CC3CC(C2)CC1C3)N1CC(CO)C1.
What is the InChIKey of 2-[2-(4-fluorophenyl)-2-adamantyl]-1-[3-(hydroxymethyl)azetidin-1-yl]ethanone?
The InChIKey is CTMRVMRGHADDPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FNO2/c23-20-3-1-17(2-4-20)22(10-21(26)24-11-16(12-24)13-25)18-6-14-5-15(8-18)9-19(22)7-14/h1-4,14-16,18-19,25H,5-13H2.
What are the key properties of 2-[2-(4-fluorophenyl)-2-adamantyl]-1-[3-(hydroxymethyl)azetidin-1-yl]ethanone?
2-[2-(4-fluorophenyl)-2-adamantyl]-1-[3-(hydroxymethyl)azetidin-1-yl]ethanone has a molecular weight of 357.47 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)-2-adamantyl]-1-[3-(hydroxymethyl)azetidin-1-yl]ethanone is sourced from PubChem (CID 24945565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).