1-(2,4-dichlorophenyl)-3,3-dimethylazetidin-2-one

C11H11Cl2NO — CID 1486799

IUPAC1-(2,4-dichlorophenyl)-3,3-dimethylazetidin-2-one
SMILESCC1(C)CN(c2ccc(Cl)cc2Cl)C1=O
InChIInChI=1S/C11H11Cl2NO/c1-11(2)6-14(10(11)15)9-4-3-7(12)5-8(9)13/h3-5H,6H2,1-2H3
InChIKeyVBZRCIQIMPKUJL-UHFFFAOYSA-N
MW244.12 g/mol
LogP3.37
Rot. Bonds1

About 1-(2,4-dichlorophenyl)-3,3-dimethylazetidin-2-one

1-(2,4-dichlorophenyl)-3,3-dimethylazetidin-2-one (PubChem CID 1486799) has the molecular formula C11H11Cl2NO and a molecular weight of 244.12 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-3,3-dimethylazetidin-2-one.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-3,3-dimethylazetidin-2-one
PubChem CID1486799
Molecular FormulaC11H11Cl2NO
Molecular Weight244.12 g/mol
Exact Mass243.02
IUPAC Name1-(2,4-dichlorophenyl)-3,3-dimethylazetidin-2-one
SMILESCC1(C)CN(c2ccc(Cl)cc2Cl)C1=O
InChIInChI=1S/C11H11Cl2NO/c1-11(2)6-14(10(11)15)9-4-3-7(12)5-8(9)13/h3-5H,6H2,1-2H3
InChIKeyVBZRCIQIMPKUJL-UHFFFAOYSA-N
XLogP3.37
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.12
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(2,4-dichlorophenyl)-3,3-dimethylazetidin-2-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-(2,4-dichlorophenyl)-3,3-dimethylazetidin-2-one?
The IUPAC name of 1-(2,4-dichlorophenyl)-3,3-dimethylazetidin-2-one (CID 1486799) is 1-(2,4-dichlorophenyl)-3,3-dimethylazetidin-2-one.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-3,3-dimethylazetidin-2-one?
The canonical SMILES for 1-(2,4-dichlorophenyl)-3,3-dimethylazetidin-2-one is CC1(C)CN(c2ccc(Cl)cc2Cl)C1=O.
What is the InChIKey of 1-(2,4-dichlorophenyl)-3,3-dimethylazetidin-2-one?
The InChIKey is VBZRCIQIMPKUJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2NO/c1-11(2)6-14(10(11)15)9-4-3-7(12)5-8(9)13/h3-5H,6H2,1-2H3.
What are the key properties of 1-(2,4-dichlorophenyl)-3,3-dimethylazetidin-2-one?
1-(2,4-dichlorophenyl)-3,3-dimethylazetidin-2-one has a molecular weight of 244.12 g/mol, XLogP of 3.37, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-3,3-dimethylazetidin-2-one is sourced from PubChem (CID 1486799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).