5-(4-chlorophenyl)-4-[hydroxy(phenyl)methylidene]-1-pyridin-2-ylpyrrolidine-2,3-dione

C22H15ClN2O3 — CID 2868489

IUPAC5-(4-chlorophenyl)-4-[hydroxy(phenyl)methylidene]-1-pyridin-2-ylpyrrolidine-2,3-dione
SMILESO=C1C(=O)N(c2ccccn2)C(c2ccc(Cl)cc2)C1=C(O)c1ccccc1
InChIInChI=1S/C22H15ClN2O3/c23-16-11-9-14(10-12-16)19-18(20(26)15-6-2-1-3-7-15)21(27)22(28)25(19)17-8-4-5-13-24-17/h1-13,19,26H
InChIKeyHAMLLXBMNDCGAF-UHFFFAOYSA-N
MW390.83 g/mol
LogP4.36
Rot. Bonds3

About 5-(4-chlorophenyl)-4-[hydroxy(phenyl)methylidene]-1-pyridin-2-ylpyrrolidine-2,3-dione

5-(4-chlorophenyl)-4-[hydroxy(phenyl)methylidene]-1-pyridin-2-ylpyrrolidine-2,3-dione (PubChem CID 2868489) has the molecular formula C22H15ClN2O3 and a molecular weight of 390.83 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-4-[hydroxy(phenyl)methylidene]-1-pyridin-2-ylpyrrolidine-2,3-dione.

Molecular Properties

Compound Name5-(4-chlorophenyl)-4-[hydroxy(phenyl)methylidene]-1-pyridin-2-ylpyrrolidine-2,3-dione
PubChem CID2868489
Molecular FormulaC22H15ClN2O3
Molecular Weight390.83 g/mol
Exact Mass390.08
IUPAC Name5-(4-chlorophenyl)-4-[hydroxy(phenyl)methylidene]-1-pyridin-2-ylpyrrolidine-2,3-dione
SMILESO=C1C(=O)N(c2ccccn2)C(c2ccc(Cl)cc2)C1=C(O)c1ccccc1
InChIInChI=1S/C22H15ClN2O3/c23-16-11-9-14(10-12-16)19-18(20(26)15-6-2-1-3-7-15)21(27)22(28)25(19)17-8-4-5-13-24-17/h1-13,19,26H
InChIKeyHAMLLXBMNDCGAF-UHFFFAOYSA-N
XLogP4.36
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.83
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-4-[hydroxy(phenyl)methylidene]-1-pyridin-2-ylpyrrolidine-2,3-dione?
The IUPAC name of 5-(4-chlorophenyl)-4-[hydroxy(phenyl)methylidene]-1-pyridin-2-ylpyrrolidine-2,3-dione (CID 2868489) is 5-(4-chlorophenyl)-4-[hydroxy(phenyl)methylidene]-1-pyridin-2-ylpyrrolidine-2,3-dione.
What is the SMILES notation for 5-(4-chlorophenyl)-4-[hydroxy(phenyl)methylidene]-1-pyridin-2-ylpyrrolidine-2,3-dione?
The canonical SMILES for 5-(4-chlorophenyl)-4-[hydroxy(phenyl)methylidene]-1-pyridin-2-ylpyrrolidine-2,3-dione is O=C1C(=O)N(c2ccccn2)C(c2ccc(Cl)cc2)C1=C(O)c1ccccc1.
What is the InChIKey of 5-(4-chlorophenyl)-4-[hydroxy(phenyl)methylidene]-1-pyridin-2-ylpyrrolidine-2,3-dione?
The InChIKey is HAMLLXBMNDCGAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClN2O3/c23-16-11-9-14(10-12-16)19-18(20(26)15-6-2-1-3-7-15)21(27)22(28)25(19)17-8-4-5-13-24-17/h1-13,19,26H.
What are the key properties of 5-(4-chlorophenyl)-4-[hydroxy(phenyl)methylidene]-1-pyridin-2-ylpyrrolidine-2,3-dione?
5-(4-chlorophenyl)-4-[hydroxy(phenyl)methylidene]-1-pyridin-2-ylpyrrolidine-2,3-dione has a molecular weight of 390.83 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-4-[hydroxy(phenyl)methylidene]-1-pyridin-2-ylpyrrolidine-2,3-dione is sourced from PubChem (CID 2868489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).