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

C21H26FNO2 — CID 59337191

IUPAC2-[2-(4-fluorophenyl)-2-adamantyl]-1-(3-hydroxyazetidin-1-yl)ethanone
SMILESO=C(CC1(c2ccc(F)cc2)C2CC3CC(C2)CC1C3)N1CC(O)C1
InChIInChI=1S/C21H26FNO2/c22-18-3-1-15(2-4-18)21(10-20(25)23-11-19(24)12-23)16-6-13-5-14(8-16)9-17(21)7-13/h1-4,13-14,16-17,19,24H,5-12H2
InChIKeyGWPZGCNYPPFAFR-UHFFFAOYSA-N
MW343.44 g/mol
LogP3.11
Rot. Bonds3

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

2-[2-(4-fluorophenyl)-2-adamantyl]-1-(3-hydroxyazetidin-1-yl)ethanone (PubChem CID 59337191) has the molecular formula C21H26FNO2 and a molecular weight of 343.44 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)-2-adamantyl]-1-(3-hydroxyazetidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)-2-adamantyl]-1-(3-hydroxyazetidin-1-yl)ethanone
PubChem CID59337191
Molecular FormulaC21H26FNO2
Molecular Weight343.44 g/mol
Exact Mass343.19
IUPAC Name2-[2-(4-fluorophenyl)-2-adamantyl]-1-(3-hydroxyazetidin-1-yl)ethanone
SMILESO=C(CC1(c2ccc(F)cc2)C2CC3CC(C2)CC1C3)N1CC(O)C1
InChIInChI=1S/C21H26FNO2/c22-18-3-1-15(2-4-18)21(10-20(25)23-11-19(24)12-23)16-6-13-5-14(8-16)9-17(21)7-13/h1-4,13-14,16-17,19,24H,5-12H2
InChIKeyGWPZGCNYPPFAFR-UHFFFAOYSA-N
XLogP3.11
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.44
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[2-(4-fluorophenyl)-2-adamantyl]-1-(3-hydroxyazetidin-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

Related Compounds

Bms-816336
CID 59336911
2-[2-(4-Fluorophenyl)-2-adamantyl]-1-(3-methoxyazetidin-1-yl)ethanone
CID 24945642
2-[(1R,3S,5R,7S)-2-[4-(4-Fluorophenyl)phenyl]-6-hydroxyadamantan-2-YL]-1-(3-hydroxyazetidin-1-YL)ethan-1-one
CID 131750120
2-(2-Benzyl-6-hydroxyadamantan-2-YL)-1-(3-hydroxyazetidin-1-YL)ethan-1-one
CID 59337183
1-(Azetidin-1-yl)-2-[2-(4-fluorophenyl)-2-adamantyl]ethanone
CID 24945563
2-[2-(4-Fluorophenyl)-2-adamantyl]-1-[3-(hydroxymethyl)azetidin-1-yl]ethanone
CID 24945565
2-[2-(4-Fluorophenyl)-5-methoxy-2-adamantyl]-1-(3-hydroxyazetidin-1-yl)ethanone
CID 24945801
2-[2-(4-Fluorophenyl)-2-adamantyl]-1-pyrrolidin-1-ylethanone
CID 59336862
2-[2-(4-Fluorophenyl)-6-hydroxy-2-adamantyl]-1-(3-hydroxyazetidin-1-yl)ethanone
CID 24744018
1-[2-[2-(4-Fluorophenyl)-2-adamantyl]acetyl]azetidine-3-carbonitrile
CID 24944569
1-(Aziridin-1-yl)-2-[2-(4-fluorophenyl)-2-adamantyl]ethanone
CID 24945561
1-(3,3-Difluoroazetidin-1-yl)-2-[2-(4-fluorophenyl)-2-adamantyl]ethanone
CID 24945566

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)-2-adamantyl]-1-(3-hydroxyazetidin-1-yl)ethanone?
The IUPAC name of 2-[2-(4-fluorophenyl)-2-adamantyl]-1-(3-hydroxyazetidin-1-yl)ethanone (CID 59337191) is 2-[2-(4-fluorophenyl)-2-adamantyl]-1-(3-hydroxyazetidin-1-yl)ethanone.
What is the SMILES notation for 2-[2-(4-fluorophenyl)-2-adamantyl]-1-(3-hydroxyazetidin-1-yl)ethanone?
The canonical SMILES for 2-[2-(4-fluorophenyl)-2-adamantyl]-1-(3-hydroxyazetidin-1-yl)ethanone is O=C(CC1(c2ccc(F)cc2)C2CC3CC(C2)CC1C3)N1CC(O)C1.
What is the InChIKey of 2-[2-(4-fluorophenyl)-2-adamantyl]-1-(3-hydroxyazetidin-1-yl)ethanone?
The InChIKey is GWPZGCNYPPFAFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FNO2/c22-18-3-1-15(2-4-18)21(10-20(25)23-11-19(24)12-23)16-6-13-5-14(8-16)9-17(21)7-13/h1-4,13-14,16-17,19,24H,5-12H2.
What are the key properties of 2-[2-(4-fluorophenyl)-2-adamantyl]-1-(3-hydroxyazetidin-1-yl)ethanone?
2-[2-(4-fluorophenyl)-2-adamantyl]-1-(3-hydroxyazetidin-1-yl)ethanone has a molecular weight of 343.44 g/mol, XLogP of 3.11, 3 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-hydroxyazetidin-1-yl)ethanone is sourced from PubChem (CID 59337191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).