2-(2-adamantyl)-1-(2,4-difluorophenyl)-4,4-dimethyldiazetidin-3-one

C20H24F2N2O — CID 59361520

IUPAC2-(2-adamantyl)-1-(2,4-difluorophenyl)-4,4-dimethyldiazetidin-3-one
SMILESCC1(C)C(=O)N(C2C3CC4CC(C3)CC2C4)N1c1ccc(F)cc1F
InChIInChI=1S/C20H24F2N2O/c1-20(2)19(25)23(24(20)17-4-3-15(21)10-16(17)22)18-13-6-11-5-12(8-13)9-14(18)7-11/h3-4,10-14,18H,5-9H2,1-2H3
InChIKeyATQHSEPUKAMJJU-UHFFFAOYSA-N
MW346.42 g/mol
LogP4.13
Rot. Bonds2

About 2-(2-adamantyl)-1-(2,4-difluorophenyl)-4,4-dimethyldiazetidin-3-one

2-(2-adamantyl)-1-(2,4-difluorophenyl)-4,4-dimethyldiazetidin-3-one (PubChem CID 59361520) has the molecular formula C20H24F2N2O and a molecular weight of 346.42 g/mol. Its IUPAC name is 2-(2-adamantyl)-1-(2,4-difluorophenyl)-4,4-dimethyldiazetidin-3-one.

Molecular Properties

Compound Name2-(2-adamantyl)-1-(2,4-difluorophenyl)-4,4-dimethyldiazetidin-3-one
PubChem CID59361520
Molecular FormulaC20H24F2N2O
Molecular Weight346.42 g/mol
Exact Mass346.19
IUPAC Name2-(2-adamantyl)-1-(2,4-difluorophenyl)-4,4-dimethyldiazetidin-3-one
SMILESCC1(C)C(=O)N(C2C3CC4CC(C3)CC2C4)N1c1ccc(F)cc1F
InChIInChI=1S/C20H24F2N2O/c1-20(2)19(25)23(24(20)17-4-3-15(21)10-16(17)22)18-13-6-11-5-12(8-13)9-14(18)7-11/h3-4,10-14,18H,5-9H2,1-2H3
InChIKeyATQHSEPUKAMJJU-UHFFFAOYSA-N
XLogP4.13
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.42
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(2-adamantyl)-1-(2,4-difluorophenyl)-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 2-(2-adamantyl)-1-(2,4-difluorophenyl)-4,4-dimethyldiazetidin-3-one?
The IUPAC name of 2-(2-adamantyl)-1-(2,4-difluorophenyl)-4,4-dimethyldiazetidin-3-one (CID 59361520) is 2-(2-adamantyl)-1-(2,4-difluorophenyl)-4,4-dimethyldiazetidin-3-one.
What is the SMILES notation for 2-(2-adamantyl)-1-(2,4-difluorophenyl)-4,4-dimethyldiazetidin-3-one?
The canonical SMILES for 2-(2-adamantyl)-1-(2,4-difluorophenyl)-4,4-dimethyldiazetidin-3-one is CC1(C)C(=O)N(C2C3CC4CC(C3)CC2C4)N1c1ccc(F)cc1F.
What is the InChIKey of 2-(2-adamantyl)-1-(2,4-difluorophenyl)-4,4-dimethyldiazetidin-3-one?
The InChIKey is ATQHSEPUKAMJJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F2N2O/c1-20(2)19(25)23(24(20)17-4-3-15(21)10-16(17)22)18-13-6-11-5-12(8-13)9-14(18)7-11/h3-4,10-14,18H,5-9H2,1-2H3.
What are the key properties of 2-(2-adamantyl)-1-(2,4-difluorophenyl)-4,4-dimethyldiazetidin-3-one?
2-(2-adamantyl)-1-(2,4-difluorophenyl)-4,4-dimethyldiazetidin-3-one has a molecular weight of 346.42 g/mol, XLogP of 4.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-adamantyl)-1-(2,4-difluorophenyl)-4,4-dimethyldiazetidin-3-one is sourced from PubChem (CID 59361520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).