2-[1-[(3-chlorophenyl)methyl]-2-oxo-4-pyridin-4-ylazetidin-3-yl]isoindole-1,3-dione

C23H16ClN3O3 — CID 126738366

IUPAC2-[1-[(3-chlorophenyl)methyl]-2-oxo-4-pyridin-4-ylazetidin-3-yl]isoindole-1,3-dione
SMILESO=C1C(N2C(=O)c3ccccc3C2=O)C(c2ccncc2)N1Cc1cccc(Cl)c1
InChIInChI=1S/C23H16ClN3O3/c24-16-5-3-4-14(12-16)13-26-19(15-8-10-25-11-9-15)20(23(26)30)27-21(28)17-6-1-2-7-18(17)22(27)29/h1-12,19-20H,13H2
InChIKeyGXPPNMIQRGDHJY-UHFFFAOYSA-N
MW417.85 g/mol
LogP3.48
Rot. Bonds4

About 2-[1-[(3-chlorophenyl)methyl]-2-oxo-4-pyridin-4-ylazetidin-3-yl]isoindole-1,3-dione

2-[1-[(3-chlorophenyl)methyl]-2-oxo-4-pyridin-4-ylazetidin-3-yl]isoindole-1,3-dione (PubChem CID 126738366) has the molecular formula C23H16ClN3O3 and a molecular weight of 417.85 g/mol. Its IUPAC name is 2-[1-[(3-chlorophenyl)methyl]-2-oxo-4-pyridin-4-ylazetidin-3-yl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[1-[(3-chlorophenyl)methyl]-2-oxo-4-pyridin-4-ylazetidin-3-yl]isoindole-1,3-dione
PubChem CID126738366
Molecular FormulaC23H16ClN3O3
Molecular Weight417.85 g/mol
Exact Mass417.09
IUPAC Name2-[1-[(3-chlorophenyl)methyl]-2-oxo-4-pyridin-4-ylazetidin-3-yl]isoindole-1,3-dione
SMILESO=C1C(N2C(=O)c3ccccc3C2=O)C(c2ccncc2)N1Cc1cccc(Cl)c1
InChIInChI=1S/C23H16ClN3O3/c24-16-5-3-4-14(12-16)13-26-19(15-8-10-25-11-9-15)20(23(26)30)27-21(28)17-6-1-2-7-18(17)22(27)29/h1-12,19-20H,13H2
InChIKeyGXPPNMIQRGDHJY-UHFFFAOYSA-N
XLogP3.48
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.85
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-chlorophenyl)methyl]-2-oxo-4-pyridin-4-ylazetidin-3-yl]isoindole-1,3-dione?
The IUPAC name of 2-[1-[(3-chlorophenyl)methyl]-2-oxo-4-pyridin-4-ylazetidin-3-yl]isoindole-1,3-dione (CID 126738366) is 2-[1-[(3-chlorophenyl)methyl]-2-oxo-4-pyridin-4-ylazetidin-3-yl]isoindole-1,3-dione.
What is the SMILES notation for 2-[1-[(3-chlorophenyl)methyl]-2-oxo-4-pyridin-4-ylazetidin-3-yl]isoindole-1,3-dione?
The canonical SMILES for 2-[1-[(3-chlorophenyl)methyl]-2-oxo-4-pyridin-4-ylazetidin-3-yl]isoindole-1,3-dione is O=C1C(N2C(=O)c3ccccc3C2=O)C(c2ccncc2)N1Cc1cccc(Cl)c1.
What is the InChIKey of 2-[1-[(3-chlorophenyl)methyl]-2-oxo-4-pyridin-4-ylazetidin-3-yl]isoindole-1,3-dione?
The InChIKey is GXPPNMIQRGDHJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClN3O3/c24-16-5-3-4-14(12-16)13-26-19(15-8-10-25-11-9-15)20(23(26)30)27-21(28)17-6-1-2-7-18(17)22(27)29/h1-12,19-20H,13H2.
What are the key properties of 2-[1-[(3-chlorophenyl)methyl]-2-oxo-4-pyridin-4-ylazetidin-3-yl]isoindole-1,3-dione?
2-[1-[(3-chlorophenyl)methyl]-2-oxo-4-pyridin-4-ylazetidin-3-yl]isoindole-1,3-dione has a molecular weight of 417.85 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-chlorophenyl)methyl]-2-oxo-4-pyridin-4-ylazetidin-3-yl]isoindole-1,3-dione is sourced from PubChem (CID 126738366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).