1-(2,4-difluorobenzoyl)-4,4-dimethyl-2-(6-tricyclo[5.2.1.03,9]decanyl)diazetidin-3-one

C21H24F2N2O2 — CID 70891983

IUPAC1-(2,4-difluorobenzoyl)-4,4-dimethyl-2-(6-tricyclo[5.2.1.03,9]decanyl)diazetidin-3-one
SMILESCC1(C)C(=O)N(C2CCC3CC4CC2CC34)N1C(=O)c1ccc(F)cc1F
InChIInChI=1S/C21H24F2N2O2/c1-21(2)20(27)24(18-6-3-11-7-12-8-13(18)9-16(11)12)25(21)19(26)15-5-4-14(22)10-17(15)23/h4-5,10-13,16,18H,3,6-9H2,1-2H3
InChIKeyJMLBOMACPBAYNV-UHFFFAOYSA-N
MW374.43 g/mol
LogP3.77
Rot. Bonds2

About 1-(2,4-difluorobenzoyl)-4,4-dimethyl-2-(6-tricyclo[5.2.1.03,9]decanyl)diazetidin-3-one

1-(2,4-difluorobenzoyl)-4,4-dimethyl-2-(6-tricyclo[5.2.1.03,9]decanyl)diazetidin-3-one (PubChem CID 70891983) has the molecular formula C21H24F2N2O2 and a molecular weight of 374.43 g/mol. Its IUPAC name is 1-(2,4-difluorobenzoyl)-4,4-dimethyl-2-(6-tricyclo[5.2.1.03,9]decanyl)diazetidin-3-one.

Molecular Properties

Compound Name1-(2,4-difluorobenzoyl)-4,4-dimethyl-2-(6-tricyclo[5.2.1.03,9]decanyl)diazetidin-3-one
PubChem CID70891983
Molecular FormulaC21H24F2N2O2
Molecular Weight374.43 g/mol
Exact Mass374.18
IUPAC Name1-(2,4-difluorobenzoyl)-4,4-dimethyl-2-(6-tricyclo[5.2.1.03,9]decanyl)diazetidin-3-one
SMILESCC1(C)C(=O)N(C2CCC3CC4CC2CC34)N1C(=O)c1ccc(F)cc1F
InChIInChI=1S/C21H24F2N2O2/c1-21(2)20(27)24(18-6-3-11-7-12-8-13(18)9-16(11)12)25(21)19(26)15-5-4-14(22)10-17(15)23/h4-5,10-13,16,18H,3,6-9H2,1-2H3
InChIKeyJMLBOMACPBAYNV-UHFFFAOYSA-N
XLogP3.77
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.43
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorobenzoyl)-4,4-dimethyl-2-(6-tricyclo[5.2.1.03,9]decanyl)diazetidin-3-one?
The IUPAC name of 1-(2,4-difluorobenzoyl)-4,4-dimethyl-2-(6-tricyclo[5.2.1.03,9]decanyl)diazetidin-3-one (CID 70891983) is 1-(2,4-difluorobenzoyl)-4,4-dimethyl-2-(6-tricyclo[5.2.1.03,9]decanyl)diazetidin-3-one.
What is the SMILES notation for 1-(2,4-difluorobenzoyl)-4,4-dimethyl-2-(6-tricyclo[5.2.1.03,9]decanyl)diazetidin-3-one?
The canonical SMILES for 1-(2,4-difluorobenzoyl)-4,4-dimethyl-2-(6-tricyclo[5.2.1.03,9]decanyl)diazetidin-3-one is CC1(C)C(=O)N(C2CCC3CC4CC2CC34)N1C(=O)c1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorobenzoyl)-4,4-dimethyl-2-(6-tricyclo[5.2.1.03,9]decanyl)diazetidin-3-one?
The InChIKey is JMLBOMACPBAYNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F2N2O2/c1-21(2)20(27)24(18-6-3-11-7-12-8-13(18)9-16(11)12)25(21)19(26)15-5-4-14(22)10-17(15)23/h4-5,10-13,16,18H,3,6-9H2,1-2H3.
What are the key properties of 1-(2,4-difluorobenzoyl)-4,4-dimethyl-2-(6-tricyclo[5.2.1.03,9]decanyl)diazetidin-3-one?
1-(2,4-difluorobenzoyl)-4,4-dimethyl-2-(6-tricyclo[5.2.1.03,9]decanyl)diazetidin-3-one has a molecular weight of 374.43 g/mol, XLogP of 3.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorobenzoyl)-4,4-dimethyl-2-(6-tricyclo[5.2.1.03,9]decanyl)diazetidin-3-one is sourced from PubChem (CID 70891983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).