3-[(4-chlorophenyl)methylidene]-1-(4-fluorophenyl)-5-phenylpyrrol-2-one

C23H15ClFNO — CID 6617577

IUPAC3-[(4-chlorophenyl)methylidene]-1-(4-fluorophenyl)-5-phenylpyrrol-2-one
SMILESO=C1C(=Cc2ccc(Cl)cc2)C=C(c2ccccc2)N1c1ccc(F)cc1
InChIInChI=1S/C23H15ClFNO/c24-19-8-6-16(7-9-19)14-18-15-22(17-4-2-1-3-5-17)26(23(18)27)21-12-10-20(25)11-13-21/h1-15H
InChIKeyQRADCGWSXZNNIN-UHFFFAOYSA-N
MW375.83 g/mol
LogP5.95
Rot. Bonds3

About 3-[(4-chlorophenyl)methylidene]-1-(4-fluorophenyl)-5-phenylpyrrol-2-one

3-[(4-chlorophenyl)methylidene]-1-(4-fluorophenyl)-5-phenylpyrrol-2-one (PubChem CID 6617577) has the molecular formula C23H15ClFNO and a molecular weight of 375.83 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methylidene]-1-(4-fluorophenyl)-5-phenylpyrrol-2-one.

Molecular Properties

Compound Name3-[(4-chlorophenyl)methylidene]-1-(4-fluorophenyl)-5-phenylpyrrol-2-one
PubChem CID6617577
Molecular FormulaC23H15ClFNO
Molecular Weight375.83 g/mol
Exact Mass375.08
IUPAC Name3-[(4-chlorophenyl)methylidene]-1-(4-fluorophenyl)-5-phenylpyrrol-2-one
SMILESO=C1C(=Cc2ccc(Cl)cc2)C=C(c2ccccc2)N1c1ccc(F)cc1
InChIInChI=1S/C23H15ClFNO/c24-19-8-6-16(7-9-19)14-18-15-22(17-4-2-1-3-5-17)26(23(18)27)21-12-10-20(25)11-13-21/h1-15H
InChIKeyQRADCGWSXZNNIN-UHFFFAOYSA-N
XLogP5.95
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.83
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_C(85)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)methylidene]-1-(4-fluorophenyl)-5-phenylpyrrol-2-one?
The IUPAC name of 3-[(4-chlorophenyl)methylidene]-1-(4-fluorophenyl)-5-phenylpyrrol-2-one (CID 6617577) is 3-[(4-chlorophenyl)methylidene]-1-(4-fluorophenyl)-5-phenylpyrrol-2-one.
What is the SMILES notation for 3-[(4-chlorophenyl)methylidene]-1-(4-fluorophenyl)-5-phenylpyrrol-2-one?
The canonical SMILES for 3-[(4-chlorophenyl)methylidene]-1-(4-fluorophenyl)-5-phenylpyrrol-2-one is O=C1C(=Cc2ccc(Cl)cc2)C=C(c2ccccc2)N1c1ccc(F)cc1.
What is the InChIKey of 3-[(4-chlorophenyl)methylidene]-1-(4-fluorophenyl)-5-phenylpyrrol-2-one?
The InChIKey is QRADCGWSXZNNIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15ClFNO/c24-19-8-6-16(7-9-19)14-18-15-22(17-4-2-1-3-5-17)26(23(18)27)21-12-10-20(25)11-13-21/h1-15H.
What are the key properties of 3-[(4-chlorophenyl)methylidene]-1-(4-fluorophenyl)-5-phenylpyrrol-2-one?
3-[(4-chlorophenyl)methylidene]-1-(4-fluorophenyl)-5-phenylpyrrol-2-one has a molecular weight of 375.83 g/mol, XLogP of 5.95, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)methylidene]-1-(4-fluorophenyl)-5-phenylpyrrol-2-one is sourced from PubChem (CID 6617577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).