1-(2-chlorophenyl)-2-(5-hydroxy-2-adamantyl)-4,4-dimethyldiazetidin-3-one

C20H25ClN2O2 — CID 59361492

IUPAC1-(2-chlorophenyl)-2-(5-hydroxy-2-adamantyl)-4,4-dimethyldiazetidin-3-one
SMILESCC1(C)C(=O)N(C2C3CC4CC2CC(O)(C4)C3)N1c1ccccc1Cl
InChIInChI=1S/C20H25ClN2O2/c1-19(2)18(24)22(23(19)16-6-4-3-5-15(16)21)17-13-7-12-8-14(17)11-20(25,9-12)10-13/h3-6,12-14,17,25H,7-11H2,1-2H3
InChIKeyIIBZSBMIXIJBEZ-UHFFFAOYSA-N
MW360.89 g/mol
LogP3.62
Rot. Bonds2

About 1-(2-chlorophenyl)-2-(5-hydroxy-2-adamantyl)-4,4-dimethyldiazetidin-3-one

1-(2-chlorophenyl)-2-(5-hydroxy-2-adamantyl)-4,4-dimethyldiazetidin-3-one (PubChem CID 59361492) has the molecular formula C20H25ClN2O2 and a molecular weight of 360.89 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-2-(5-hydroxy-2-adamantyl)-4,4-dimethyldiazetidin-3-one.

Molecular Properties

Compound Name1-(2-chlorophenyl)-2-(5-hydroxy-2-adamantyl)-4,4-dimethyldiazetidin-3-one
PubChem CID59361492
Molecular FormulaC20H25ClN2O2
Molecular Weight360.89 g/mol
Exact Mass360.16
IUPAC Name1-(2-chlorophenyl)-2-(5-hydroxy-2-adamantyl)-4,4-dimethyldiazetidin-3-one
SMILESCC1(C)C(=O)N(C2C3CC4CC2CC(O)(C4)C3)N1c1ccccc1Cl
InChIInChI=1S/C20H25ClN2O2/c1-19(2)18(24)22(23(19)16-6-4-3-5-15(16)21)17-13-7-12-8-14(17)11-20(25,9-12)10-13/h3-6,12-14,17,25H,7-11H2,1-2H3
InChIKeyIIBZSBMIXIJBEZ-UHFFFAOYSA-N
XLogP3.62
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.89
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2-chlorophenyl)-2-(5-hydroxy-2-adamantyl)-4,4-dimethyldiazetidin-3-one 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-(2-chlorophenyl)-2-(5-hydroxy-2-adamantyl)-4,4-dimethyldiazetidin-3-one?
The IUPAC name of 1-(2-chlorophenyl)-2-(5-hydroxy-2-adamantyl)-4,4-dimethyldiazetidin-3-one (CID 59361492) is 1-(2-chlorophenyl)-2-(5-hydroxy-2-adamantyl)-4,4-dimethyldiazetidin-3-one.
What is the SMILES notation for 1-(2-chlorophenyl)-2-(5-hydroxy-2-adamantyl)-4,4-dimethyldiazetidin-3-one?
The canonical SMILES for 1-(2-chlorophenyl)-2-(5-hydroxy-2-adamantyl)-4,4-dimethyldiazetidin-3-one is CC1(C)C(=O)N(C2C3CC4CC2CC(O)(C4)C3)N1c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-2-(5-hydroxy-2-adamantyl)-4,4-dimethyldiazetidin-3-one?
The InChIKey is IIBZSBMIXIJBEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O2/c1-19(2)18(24)22(23(19)16-6-4-3-5-15(16)21)17-13-7-12-8-14(17)11-20(25,9-12)10-13/h3-6,12-14,17,25H,7-11H2,1-2H3.
What are the key properties of 1-(2-chlorophenyl)-2-(5-hydroxy-2-adamantyl)-4,4-dimethyldiazetidin-3-one?
1-(2-chlorophenyl)-2-(5-hydroxy-2-adamantyl)-4,4-dimethyldiazetidin-3-one has a molecular weight of 360.89 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-2-(5-hydroxy-2-adamantyl)-4,4-dimethyldiazetidin-3-one is sourced from PubChem (CID 59361492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).