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

C24H18ClNO2 — CID 46495790

IUPAC(3E)-1-(4-chlorophenyl)-3-[(4-methoxyphenyl)methylidene]-5-phenylpyrrol-2-one
SMILESCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(Cl)cc3)C2=O)cc1
InChIInChI=1S/C24H18ClNO2/c1-28-22-13-7-17(8-14-22)15-19-16-23(18-5-3-2-4-6-18)26(24(19)27)21-11-9-20(25)10-12-21/h2-16H,1H3/b19-15+
InChIKeyRDHDHKMKMPERNY-XDJHFCHBSA-N
MW387.87 g/mol
LogP5.82
Rot. Bonds4

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

(3E)-1-(4-chlorophenyl)-3-[(4-methoxyphenyl)methylidene]-5-phenylpyrrol-2-one (PubChem CID 46495790) has the molecular formula C24H18ClNO2 and a molecular weight of 387.87 g/mol. Its IUPAC name is (3E)-1-(4-chlorophenyl)-3-[(4-methoxyphenyl)methylidene]-5-phenylpyrrol-2-one.

Molecular Properties

Compound Name(3E)-1-(4-chlorophenyl)-3-[(4-methoxyphenyl)methylidene]-5-phenylpyrrol-2-one
PubChem CID46495790
Molecular FormulaC24H18ClNO2
Molecular Weight387.87 g/mol
Exact Mass387.10
IUPAC Name(3E)-1-(4-chlorophenyl)-3-[(4-methoxyphenyl)methylidene]-5-phenylpyrrol-2-one
SMILESCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(Cl)cc3)C2=O)cc1
InChIInChI=1S/C24H18ClNO2/c1-28-22-13-7-17(8-14-22)15-19-16-23(18-5-3-2-4-6-18)26(24(19)27)21-11-9-20(25)10-12-21/h2-16H,1H3/b19-15+
InChIKeyRDHDHKMKMPERNY-XDJHFCHBSA-N
XLogP5.82
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.87
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

3-[(4-chlorophenyl)methylidene]-1-(4-fluorophenyl)-5-phenylpyrrol-2-one
CID 6617577
2-chloro-5-[(3E)-3-[(4-methoxyphenyl)methylidene]-2-oxo-5-phenylpyrrol-1-yl]benzoic acid
CID 45105597
2-chloro-5-[(3Z)-5-(4-chlorophenyl)-3-[(4-methoxyphenyl)methylidene]-2-oxopyrrol-1-yl]benzoic acid
CID 124647005
2-chloro-4-[3-[(4-chlorophenyl)methylidene]-2-oxo-5-phenylpyrrol-1-yl]benzoic acid
CID 3502812
3-[(4-chlorophenyl)methylidene]-1-(4-methyl-3-nitrophenyl)-5-phenylpyrrol-2-one
CID 6617559
(3E)-3-[(4-bromophenyl)methylidene]-1-(4-methylphenyl)-5-phenylpyrrol-2-one
CID 6305373
3-[(3-bromo-4-methoxyphenyl)methylidene]-1,5-diphenylpyrrol-2-one
CID 6617573
(3E)-3-[(3-bromo-4-methoxyphenyl)methylidene]-1-naphthalen-2-yl-5-phenylpyrrol-2-one
CID 6300855
(3E)-3-[(4-methoxyphenyl)methylidene]-5-phenyl-1-(2-phenylethyl)pyrrol-2-one
CID 155815383
5-(4-chlorophenyl)-3-[(3,4-dimethoxyphenyl)methylidene]-1-(4-morpholin-4-ylphenyl)pyrrol-2-one
CID 3493724
3-benzylidene-2-(4-methoxyphenyl)isoindol-1-one
CID 3569909
(5E)-2-(4-chlorophenyl)-5-[(4-chlorophenyl)methylidene]-3-(4-methoxyphenyl)imidazol-4-one
CID 126003616

Frequently Asked Questions

What is the IUPAC name of (3E)-1-(4-chlorophenyl)-3-[(4-methoxyphenyl)methylidene]-5-phenylpyrrol-2-one?
The IUPAC name of (3E)-1-(4-chlorophenyl)-3-[(4-methoxyphenyl)methylidene]-5-phenylpyrrol-2-one (CID 46495790) is (3E)-1-(4-chlorophenyl)-3-[(4-methoxyphenyl)methylidene]-5-phenylpyrrol-2-one.
What is the SMILES notation for (3E)-1-(4-chlorophenyl)-3-[(4-methoxyphenyl)methylidene]-5-phenylpyrrol-2-one?
The canonical SMILES for (3E)-1-(4-chlorophenyl)-3-[(4-methoxyphenyl)methylidene]-5-phenylpyrrol-2-one is COc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(Cl)cc3)C2=O)cc1.
What is the InChIKey of (3E)-1-(4-chlorophenyl)-3-[(4-methoxyphenyl)methylidene]-5-phenylpyrrol-2-one?
The InChIKey is RDHDHKMKMPERNY-XDJHFCHBSA-N. The full InChI is InChI=1S/C24H18ClNO2/c1-28-22-13-7-17(8-14-22)15-19-16-23(18-5-3-2-4-6-18)26(24(19)27)21-11-9-20(25)10-12-21/h2-16H,1H3/b19-15+.
What are the key properties of (3E)-1-(4-chlorophenyl)-3-[(4-methoxyphenyl)methylidene]-5-phenylpyrrol-2-one?
(3E)-1-(4-chlorophenyl)-3-[(4-methoxyphenyl)methylidene]-5-phenylpyrrol-2-one has a molecular weight of 387.87 g/mol, XLogP of 5.82, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-1-(4-chlorophenyl)-3-[(4-methoxyphenyl)methylidene]-5-phenylpyrrol-2-one is sourced from PubChem (CID 46495790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).