3-chloro-4-(2-chlorophenyl)-1-(1,2,4-triazol-4-yl)azetidin-2-one

C11H8Cl2N4O — CID 155814372

IUPAC3-chloro-4-(2-chlorophenyl)-1-(1,2,4-triazol-4-yl)azetidin-2-one
SMILESO=C1C(Cl)C(c2ccccc2Cl)N1n1cnnc1
InChIInChI=1S/C11H8Cl2N4O/c12-8-4-2-1-3-7(8)10-9(13)11(18)17(10)16-5-14-15-6-16/h1-6,9-10H
InChIKeyVLOXTDQYIRSZJV-UHFFFAOYSA-N
MW283.12 g/mol
LogP1.76
Rot. Bonds2

About 3-chloro-4-(2-chlorophenyl)-1-(1,2,4-triazol-4-yl)azetidin-2-one

3-chloro-4-(2-chlorophenyl)-1-(1,2,4-triazol-4-yl)azetidin-2-one (PubChem CID 155814372) has the molecular formula C11H8Cl2N4O and a molecular weight of 283.12 g/mol. Its IUPAC name is 3-chloro-4-(2-chlorophenyl)-1-(1,2,4-triazol-4-yl)azetidin-2-one.

Molecular Properties

Compound Name3-chloro-4-(2-chlorophenyl)-1-(1,2,4-triazol-4-yl)azetidin-2-one
PubChem CID155814372
Molecular FormulaC11H8Cl2N4O
Molecular Weight283.12 g/mol
Exact Mass282.01
IUPAC Name3-chloro-4-(2-chlorophenyl)-1-(1,2,4-triazol-4-yl)azetidin-2-one
SMILESO=C1C(Cl)C(c2ccccc2Cl)N1n1cnnc1
InChIInChI=1S/C11H8Cl2N4O/c12-8-4-2-1-3-7(8)10-9(13)11(18)17(10)16-5-14-15-6-16/h1-6,9-10H
InChIKeyVLOXTDQYIRSZJV-UHFFFAOYSA-N
XLogP1.76
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.12
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(2-chlorophenyl)-1-(1,2,4-triazol-4-yl)azetidin-2-one?
The IUPAC name of 3-chloro-4-(2-chlorophenyl)-1-(1,2,4-triazol-4-yl)azetidin-2-one (CID 155814372) is 3-chloro-4-(2-chlorophenyl)-1-(1,2,4-triazol-4-yl)azetidin-2-one.
What is the SMILES notation for 3-chloro-4-(2-chlorophenyl)-1-(1,2,4-triazol-4-yl)azetidin-2-one?
The canonical SMILES for 3-chloro-4-(2-chlorophenyl)-1-(1,2,4-triazol-4-yl)azetidin-2-one is O=C1C(Cl)C(c2ccccc2Cl)N1n1cnnc1.
What is the InChIKey of 3-chloro-4-(2-chlorophenyl)-1-(1,2,4-triazol-4-yl)azetidin-2-one?
The InChIKey is VLOXTDQYIRSZJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N4O/c12-8-4-2-1-3-7(8)10-9(13)11(18)17(10)16-5-14-15-6-16/h1-6,9-10H.
What are the key properties of 3-chloro-4-(2-chlorophenyl)-1-(1,2,4-triazol-4-yl)azetidin-2-one?
3-chloro-4-(2-chlorophenyl)-1-(1,2,4-triazol-4-yl)azetidin-2-one has a molecular weight of 283.12 g/mol, XLogP of 1.76, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(2-chlorophenyl)-1-(1,2,4-triazol-4-yl)azetidin-2-one is sourced from PubChem (CID 155814372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).