1-(2,5-dichlorophenyl)-2-oxoazetidine-3-carboxamide

C10H8Cl2N2O2 — CID 142153821

IUPAC1-(2,5-dichlorophenyl)-2-oxoazetidine-3-carboxamide
SMILESNC(=O)C1CN(c2cc(Cl)ccc2Cl)C1=O
InChIInChI=1S/C10H8Cl2N2O2/c11-5-1-2-7(12)8(3-5)14-4-6(9(13)15)10(14)16/h1-3,6H,4H2,(H2,13,15)
InChIKeyWOEKXTGYHAHBTG-UHFFFAOYSA-N
MW259.09 g/mol
LogP1.44
Rot. Bonds2

About 1-(2,5-dichlorophenyl)-2-oxoazetidine-3-carboxamide

1-(2,5-dichlorophenyl)-2-oxoazetidine-3-carboxamide (PubChem CID 142153821) has the molecular formula C10H8Cl2N2O2 and a molecular weight of 259.09 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-2-oxoazetidine-3-carboxamide.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-2-oxoazetidine-3-carboxamide
PubChem CID142153821
Molecular FormulaC10H8Cl2N2O2
Molecular Weight259.09 g/mol
Exact Mass258.00
IUPAC Name1-(2,5-dichlorophenyl)-2-oxoazetidine-3-carboxamide
SMILESNC(=O)C1CN(c2cc(Cl)ccc2Cl)C1=O
InChIInChI=1S/C10H8Cl2N2O2/c11-5-1-2-7(12)8(3-5)14-4-6(9(13)15)10(14)16/h1-3,6H,4H2,(H2,13,15)
InChIKeyWOEKXTGYHAHBTG-UHFFFAOYSA-N
XLogP1.44
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.09
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-2-oxoazetidine-3-carboxamide?
The IUPAC name of 1-(2,5-dichlorophenyl)-2-oxoazetidine-3-carboxamide (CID 142153821) is 1-(2,5-dichlorophenyl)-2-oxoazetidine-3-carboxamide.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-2-oxoazetidine-3-carboxamide?
The canonical SMILES for 1-(2,5-dichlorophenyl)-2-oxoazetidine-3-carboxamide is NC(=O)C1CN(c2cc(Cl)ccc2Cl)C1=O.
What is the InChIKey of 1-(2,5-dichlorophenyl)-2-oxoazetidine-3-carboxamide?
The InChIKey is WOEKXTGYHAHBTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2N2O2/c11-5-1-2-7(12)8(3-5)14-4-6(9(13)15)10(14)16/h1-3,6H,4H2,(H2,13,15).
What are the key properties of 1-(2,5-dichlorophenyl)-2-oxoazetidine-3-carboxamide?
1-(2,5-dichlorophenyl)-2-oxoazetidine-3-carboxamide has a molecular weight of 259.09 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)-2-oxoazetidine-3-carboxamide is sourced from PubChem (CID 142153821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).