(3E)-3-[(4-chlorophenyl)methylidene]-5-(4-phenoxyphenyl)-1H-pyrrol-2-one

C23H16ClNO2 — CID 5277452

IUPAC(3E)-3-[(4-chlorophenyl)methylidene]-5-(4-phenoxyphenyl)-1H-pyrrol-2-one
SMILESO=C1NC(c2ccc(Oc3ccccc3)cc2)=C/C1=C\c1ccc(Cl)cc1
InChIInChI=1S/C23H16ClNO2/c24-19-10-6-16(7-11-19)14-18-15-22(25-23(18)26)17-8-12-21(13-9-17)27-20-4-2-1-3-5-20/h1-15H,(H,25,26)/b18-14+
InChIKeyJLQHGSHIJXHYBE-NBVRZTHBSA-N
MW373.84 g/mol
LogP5.69
Rot. Bonds4

About (3E)-3-[(4-chlorophenyl)methylidene]-5-(4-phenoxyphenyl)-1H-pyrrol-2-one

(3E)-3-[(4-chlorophenyl)methylidene]-5-(4-phenoxyphenyl)-1H-pyrrol-2-one (PubChem CID 5277452) has the molecular formula C23H16ClNO2 and a molecular weight of 373.84 g/mol. Its IUPAC name is (3E)-3-[(4-chlorophenyl)methylidene]-5-(4-phenoxyphenyl)-1H-pyrrol-2-one.

Molecular Properties

Compound Name(3E)-3-[(4-chlorophenyl)methylidene]-5-(4-phenoxyphenyl)-1H-pyrrol-2-one
PubChem CID5277452
Molecular FormulaC23H16ClNO2
Molecular Weight373.84 g/mol
Exact Mass373.09
IUPAC Name(3E)-3-[(4-chlorophenyl)methylidene]-5-(4-phenoxyphenyl)-1H-pyrrol-2-one
SMILESO=C1NC(c2ccc(Oc3ccccc3)cc2)=C/C1=C\c1ccc(Cl)cc1
InChIInChI=1S/C23H16ClNO2/c24-19-10-6-16(7-11-19)14-18-15-22(25-23(18)26)17-8-12-21(13-9-17)27-20-4-2-1-3-5-20/h1-15H,(H,25,26)/b18-14+
InChIKeyJLQHGSHIJXHYBE-NBVRZTHBSA-N
XLogP5.69
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.84
LogP ≤ 55.69
H-Bond Donors ≤ 51
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

(3Z)-5-[4-(4-ethylphenoxy)phenyl]-3-[(4-propan-2-yloxyphenyl)methylidene]-1H-pyrrol-2-one
CID 141253575
(5Z)-5-[[4-(4-phenoxyphenyl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 168664662
5-[(2-chloro-4-phenoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 141153634
4-[2-[(3Z)-3-[(4-chlorophenyl)methylidene]-2-oxo-5-(4-phenoxyphenyl)pyrrol-1-yl]ethyl]benzenesulfonamide
CID 155811806
chlorobenzene;phenoxybenzene
CID 66911253
3-[(4-ethoxyphenyl)methylidene]-5-(4-phenoxyphenyl)furan-2-one
CID 3123621
3,6-bis[(4-phenoxyphenyl)methylidene]cyclohexa-1,4-diene
CID 151830839
(5Z)-1-methyl-5-[(4-phenoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione
CID 5350951
(3E)-1-(4-chlorophenyl)-3-[(4-methoxyphenyl)methylidene]-5-phenylpyrrol-2-one
CID 46495790
5-[[4-(4-chlorophenoxy)phenyl]methylidene]-1-(4-chlorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 90934280
1,4-bis(4-chlorophenoxy)benzene
CID 10996522
3-(4-chlorophenyl)-4-hydroxy-1-(4-phenoxyphenyl)pyrrole-2,5-dione
CID 110581921

Frequently Asked Questions

What is the IUPAC name of (3E)-3-[(4-chlorophenyl)methylidene]-5-(4-phenoxyphenyl)-1H-pyrrol-2-one?
The IUPAC name of (3E)-3-[(4-chlorophenyl)methylidene]-5-(4-phenoxyphenyl)-1H-pyrrol-2-one (CID 5277452) is (3E)-3-[(4-chlorophenyl)methylidene]-5-(4-phenoxyphenyl)-1H-pyrrol-2-one.
What is the SMILES notation for (3E)-3-[(4-chlorophenyl)methylidene]-5-(4-phenoxyphenyl)-1H-pyrrol-2-one?
The canonical SMILES for (3E)-3-[(4-chlorophenyl)methylidene]-5-(4-phenoxyphenyl)-1H-pyrrol-2-one is O=C1NC(c2ccc(Oc3ccccc3)cc2)=C/C1=C\c1ccc(Cl)cc1.
What is the InChIKey of (3E)-3-[(4-chlorophenyl)methylidene]-5-(4-phenoxyphenyl)-1H-pyrrol-2-one?
The InChIKey is JLQHGSHIJXHYBE-NBVRZTHBSA-N. The full InChI is InChI=1S/C23H16ClNO2/c24-19-10-6-16(7-11-19)14-18-15-22(25-23(18)26)17-8-12-21(13-9-17)27-20-4-2-1-3-5-20/h1-15H,(H,25,26)/b18-14+.
What are the key properties of (3E)-3-[(4-chlorophenyl)methylidene]-5-(4-phenoxyphenyl)-1H-pyrrol-2-one?
(3E)-3-[(4-chlorophenyl)methylidene]-5-(4-phenoxyphenyl)-1H-pyrrol-2-one has a molecular weight of 373.84 g/mol, XLogP of 5.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[(4-chlorophenyl)methylidene]-5-(4-phenoxyphenyl)-1H-pyrrol-2-one is sourced from PubChem (CID 5277452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).