4-anilino-2-(4-hydroxyphenyl)-1-phenyl-2H-pyrrol-5-one

C22H18N2O2 — CID 3829419

IUPAC4-anilino-2-(4-hydroxyphenyl)-1-phenyl-2H-pyrrol-5-one
SMILESO=C1C(Nc2ccccc2)=CC(c2ccc(O)cc2)N1c1ccccc1
InChIInChI=1S/C22H18N2O2/c25-19-13-11-16(12-14-19)21-15-20(23-17-7-3-1-4-8-17)22(26)24(21)18-9-5-2-6-10-18/h1-15,21,23,25H
InChIKeyUEOMAONEBCYQBF-UHFFFAOYSA-N
MW342.40 g/mol
LogP4.48
Rot. Bonds4

About 4-anilino-2-(4-hydroxyphenyl)-1-phenyl-2H-pyrrol-5-one

4-anilino-2-(4-hydroxyphenyl)-1-phenyl-2H-pyrrol-5-one (PubChem CID 3829419) has the molecular formula C22H18N2O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is 4-anilino-2-(4-hydroxyphenyl)-1-phenyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name4-anilino-2-(4-hydroxyphenyl)-1-phenyl-2H-pyrrol-5-one
PubChem CID3829419
Molecular FormulaC22H18N2O2
Molecular Weight342.40 g/mol
Exact Mass342.14
IUPAC Name4-anilino-2-(4-hydroxyphenyl)-1-phenyl-2H-pyrrol-5-one
SMILESO=C1C(Nc2ccccc2)=CC(c2ccc(O)cc2)N1c1ccccc1
InChIInChI=1S/C22H18N2O2/c25-19-13-11-16(12-14-19)21-15-20(23-17-7-3-1-4-8-17)22(26)24(21)18-9-5-2-6-10-18/h1-15,21,23,25H
InChIKeyUEOMAONEBCYQBF-UHFFFAOYSA-N
XLogP4.48
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-anilino-2-(4-hydroxyphenyl)-1-phenyl-2H-pyrrol-5-one?
The IUPAC name of 4-anilino-2-(4-hydroxyphenyl)-1-phenyl-2H-pyrrol-5-one (CID 3829419) is 4-anilino-2-(4-hydroxyphenyl)-1-phenyl-2H-pyrrol-5-one.
What is the SMILES notation for 4-anilino-2-(4-hydroxyphenyl)-1-phenyl-2H-pyrrol-5-one?
The canonical SMILES for 4-anilino-2-(4-hydroxyphenyl)-1-phenyl-2H-pyrrol-5-one is O=C1C(Nc2ccccc2)=CC(c2ccc(O)cc2)N1c1ccccc1.
What is the InChIKey of 4-anilino-2-(4-hydroxyphenyl)-1-phenyl-2H-pyrrol-5-one?
The InChIKey is UEOMAONEBCYQBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O2/c25-19-13-11-16(12-14-19)21-15-20(23-17-7-3-1-4-8-17)22(26)24(21)18-9-5-2-6-10-18/h1-15,21,23,25H.
What are the key properties of 4-anilino-2-(4-hydroxyphenyl)-1-phenyl-2H-pyrrol-5-one?
4-anilino-2-(4-hydroxyphenyl)-1-phenyl-2H-pyrrol-5-one has a molecular weight of 342.40 g/mol, XLogP of 4.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anilino-2-(4-hydroxyphenyl)-1-phenyl-2H-pyrrol-5-one is sourced from PubChem (CID 3829419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).