3-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-1,5-diphenylpyrrol-2-one

C27H18ClNO2 — CID 3115699

IUPAC3-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-1,5-diphenylpyrrol-2-one
SMILESO=C1C(=Cc2ccc(-c3cccc(Cl)c3)o2)C=C(c2ccccc2)N1c1ccccc1
InChIInChI=1S/C27H18ClNO2/c28-22-11-7-10-20(16-22)26-15-14-24(31-26)17-21-18-25(19-8-3-1-4-9-19)29(27(21)30)23-12-5-2-6-13-23/h1-18H
InChIKeyDRLQEIQFMLWSMR-UHFFFAOYSA-N
MW423.90 g/mol
LogP7.07
Rot. Bonds4

About 3-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-1,5-diphenylpyrrol-2-one

3-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-1,5-diphenylpyrrol-2-one (PubChem CID 3115699) has the molecular formula C27H18ClNO2 and a molecular weight of 423.90 g/mol. Its IUPAC name is 3-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-1,5-diphenylpyrrol-2-one.

Molecular Properties

Compound Name3-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-1,5-diphenylpyrrol-2-one
PubChem CID3115699
Molecular FormulaC27H18ClNO2
Molecular Weight423.90 g/mol
Exact Mass423.10
IUPAC Name3-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-1,5-diphenylpyrrol-2-one
SMILESO=C1C(=Cc2ccc(-c3cccc(Cl)c3)o2)C=C(c2ccccc2)N1c1ccccc1
InChIInChI=1S/C27H18ClNO2/c28-22-11-7-10-20(16-22)26-15-14-24(31-26)17-21-18-25(19-8-3-1-4-9-19)29(27(21)30)23-12-5-2-6-13-23/h1-18H
InChIKeyDRLQEIQFMLWSMR-UHFFFAOYSA-N
XLogP7.07
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.90
LogP ≤ 57.07
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-[3-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-2-oxo-5-phenylpyrrol-1-yl]benzoic acid
CID 3123639
3-[[5-(4-bromophenyl)furan-2-yl]methylidene]-1-(3-hydroxyphenyl)-5-phenylpyrrol-2-one
CID 3123641
(3Z)-3-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-1-[4-(4-nitrophenyl)sulfanylphenyl]-5-phenylpyrrol-2-one
CID 6044498
1-naphthalen-2-yl-3-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-5-phenylpyrrol-2-one
CID 3586020
(3Z)-3-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-1-(2,5-dimethylphenyl)-5-phenylpyrrol-2-one
CID 6015526
ethyl 4-[5-[[2-oxo-5-phenyl-1-(4-phenylphenyl)pyrrol-3-ylidene]methyl]furan-2-yl]benzoate
CID 3115734
(3E)-1-naphthalen-1-yl-3-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-5-phenylpyrrol-2-one
CID 6513184
3-[(4-chlorophenyl)methylidene]-1-(4-fluorophenyl)-5-phenylpyrrol-2-one
CID 6617577
(5E)-1-(4-chlorophenyl)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 124680429
(4Z)-4-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-phenyl-1,3-oxazol-5-one
CID 19663628
5-[[5-(3-fluorophenyl)furan-2-yl]methylidene]-1,3-diphenyl-1,3-diazinane-2,4,6-trione
CID 126025909
(5E)-3-(3-chlorophenyl)-5-[[5-(3-fluorophenyl)furan-2-yl]methylidene]imidazolidine-2,4-dione
CID 126094600

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-1,5-diphenylpyrrol-2-one?
The IUPAC name of 3-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-1,5-diphenylpyrrol-2-one (CID 3115699) is 3-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-1,5-diphenylpyrrol-2-one.
What is the SMILES notation for 3-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-1,5-diphenylpyrrol-2-one?
The canonical SMILES for 3-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-1,5-diphenylpyrrol-2-one is O=C1C(=Cc2ccc(-c3cccc(Cl)c3)o2)C=C(c2ccccc2)N1c1ccccc1.
What is the InChIKey of 3-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-1,5-diphenylpyrrol-2-one?
The InChIKey is DRLQEIQFMLWSMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18ClNO2/c28-22-11-7-10-20(16-22)26-15-14-24(31-26)17-21-18-25(19-8-3-1-4-9-19)29(27(21)30)23-12-5-2-6-13-23/h1-18H.
What are the key properties of 3-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-1,5-diphenylpyrrol-2-one?
3-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-1,5-diphenylpyrrol-2-one has a molecular weight of 423.90 g/mol, XLogP of 7.07, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-1,5-diphenylpyrrol-2-one is sourced from PubChem (CID 3115699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).