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

C24H17ClFNO — CID 74927692

IUPAC1-benzyl-5-(4-chlorophenyl)-3-[(4-fluorophenyl)methylidene]pyrrol-2-one
SMILESO=C1C(=Cc2ccc(F)cc2)C=C(c2ccc(Cl)cc2)N1Cc1ccccc1
InChIInChI=1S/C24H17ClFNO/c25-21-10-8-19(9-11-21)23-15-20(14-17-6-12-22(26)13-7-17)24(28)27(23)16-18-4-2-1-3-5-18/h1-15H,16H2
InChIKeyXECGWSVKNWSIKU-UHFFFAOYSA-N
MW389.86 g/mol
LogP5.95
Rot. Bonds4

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

1-benzyl-5-(4-chlorophenyl)-3-[(4-fluorophenyl)methylidene]pyrrol-2-one (PubChem CID 74927692) has the molecular formula C24H17ClFNO and a molecular weight of 389.86 g/mol. Its IUPAC name is 1-benzyl-5-(4-chlorophenyl)-3-[(4-fluorophenyl)methylidene]pyrrol-2-one.

Molecular Properties

Compound Name1-benzyl-5-(4-chlorophenyl)-3-[(4-fluorophenyl)methylidene]pyrrol-2-one
PubChem CID74927692
Molecular FormulaC24H17ClFNO
Molecular Weight389.86 g/mol
Exact Mass389.10
IUPAC Name1-benzyl-5-(4-chlorophenyl)-3-[(4-fluorophenyl)methylidene]pyrrol-2-one
SMILESO=C1C(=Cc2ccc(F)cc2)C=C(c2ccc(Cl)cc2)N1Cc1ccccc1
InChIInChI=1S/C24H17ClFNO/c25-21-10-8-19(9-11-21)23-15-20(14-17-6-12-22(26)13-7-17)24(28)27(23)16-18-4-2-1-3-5-18/h1-15H,16H2
InChIKeyXECGWSVKNWSIKU-UHFFFAOYSA-N
XLogP5.95
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.86
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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Related Compounds

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(2E)-3-(4-chlorophenyl)-1-[4-(4-fluorophenyl)piperazinyl]prop-2-en-1-one
CID 670696
1-Benzyl-5-(4-chlorophenyl)-3-[(e)-1-phenylmethylidene]-2,3-dihydro-1h-2-pyrrolone
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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-(4-chlorophenyl)-3-[(4-fluorophenyl)methylidene]pyrrol-2-one?
The IUPAC name of 1-benzyl-5-(4-chlorophenyl)-3-[(4-fluorophenyl)methylidene]pyrrol-2-one (CID 74927692) is 1-benzyl-5-(4-chlorophenyl)-3-[(4-fluorophenyl)methylidene]pyrrol-2-one.
What is the SMILES notation for 1-benzyl-5-(4-chlorophenyl)-3-[(4-fluorophenyl)methylidene]pyrrol-2-one?
The canonical SMILES for 1-benzyl-5-(4-chlorophenyl)-3-[(4-fluorophenyl)methylidene]pyrrol-2-one is O=C1C(=Cc2ccc(F)cc2)C=C(c2ccc(Cl)cc2)N1Cc1ccccc1.
What is the InChIKey of 1-benzyl-5-(4-chlorophenyl)-3-[(4-fluorophenyl)methylidene]pyrrol-2-one?
The InChIKey is XECGWSVKNWSIKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClFNO/c25-21-10-8-19(9-11-21)23-15-20(14-17-6-12-22(26)13-7-17)24(28)27(23)16-18-4-2-1-3-5-18/h1-15H,16H2.
What are the key properties of 1-benzyl-5-(4-chlorophenyl)-3-[(4-fluorophenyl)methylidene]pyrrol-2-one?
1-benzyl-5-(4-chlorophenyl)-3-[(4-fluorophenyl)methylidene]pyrrol-2-one has a molecular weight of 389.86 g/mol, XLogP of 5.95, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-(4-chlorophenyl)-3-[(4-fluorophenyl)methylidene]pyrrol-2-one is sourced from PubChem (CID 74927692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).