1-[(4-chlorophenyl)methyl]-4-hydroxy-2-(4-methylphenyl)-3-phenyl-2H-pyrrol-5-one

C24H20ClNO2 — CID 45031876

IUPAC1-[(4-chlorophenyl)methyl]-4-hydroxy-2-(4-methylphenyl)-3-phenyl-2H-pyrrol-5-one
SMILESCc1ccc(C2C(c3ccccc3)=C(O)C(=O)N2Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C24H20ClNO2/c1-16-7-11-19(12-8-16)22-21(18-5-3-2-4-6-18)23(27)24(28)26(22)15-17-9-13-20(25)14-10-17/h2-14,22,27H,15H2,1H3
InChIKeyQQCCRHUZXAWUCS-UHFFFAOYSA-N
MW389.88 g/mol
LogP5.70
Rot. Bonds4

About 1-[(4-chlorophenyl)methyl]-4-hydroxy-2-(4-methylphenyl)-3-phenyl-2H-pyrrol-5-one

1-[(4-chlorophenyl)methyl]-4-hydroxy-2-(4-methylphenyl)-3-phenyl-2H-pyrrol-5-one (PubChem CID 45031876) has the molecular formula C24H20ClNO2 and a molecular weight of 389.88 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-4-hydroxy-2-(4-methylphenyl)-3-phenyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-4-hydroxy-2-(4-methylphenyl)-3-phenyl-2H-pyrrol-5-one
PubChem CID45031876
Molecular FormulaC24H20ClNO2
Molecular Weight389.88 g/mol
Exact Mass389.12
IUPAC Name1-[(4-chlorophenyl)methyl]-4-hydroxy-2-(4-methylphenyl)-3-phenyl-2H-pyrrol-5-one
SMILESCc1ccc(C2C(c3ccccc3)=C(O)C(=O)N2Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C24H20ClNO2/c1-16-7-11-19(12-8-16)22-21(18-5-3-2-4-6-18)23(27)24(28)26(22)15-17-9-13-20(25)14-10-17/h2-14,22,27H,15H2,1H3
InChIKeyQQCCRHUZXAWUCS-UHFFFAOYSA-N
XLogP5.70
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.88
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-4-hydroxy-2-(4-methylphenyl)-3-phenyl-2H-pyrrol-5-one?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-4-hydroxy-2-(4-methylphenyl)-3-phenyl-2H-pyrrol-5-one (CID 45031876) is 1-[(4-chlorophenyl)methyl]-4-hydroxy-2-(4-methylphenyl)-3-phenyl-2H-pyrrol-5-one.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-4-hydroxy-2-(4-methylphenyl)-3-phenyl-2H-pyrrol-5-one?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-4-hydroxy-2-(4-methylphenyl)-3-phenyl-2H-pyrrol-5-one is Cc1ccc(C2C(c3ccccc3)=C(O)C(=O)N2Cc2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-4-hydroxy-2-(4-methylphenyl)-3-phenyl-2H-pyrrol-5-one?
The InChIKey is QQCCRHUZXAWUCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClNO2/c1-16-7-11-19(12-8-16)22-21(18-5-3-2-4-6-18)23(27)24(28)26(22)15-17-9-13-20(25)14-10-17/h2-14,22,27H,15H2,1H3.
What are the key properties of 1-[(4-chlorophenyl)methyl]-4-hydroxy-2-(4-methylphenyl)-3-phenyl-2H-pyrrol-5-one?
1-[(4-chlorophenyl)methyl]-4-hydroxy-2-(4-methylphenyl)-3-phenyl-2H-pyrrol-5-one has a molecular weight of 389.88 g/mol, XLogP of 5.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-4-hydroxy-2-(4-methylphenyl)-3-phenyl-2H-pyrrol-5-one is sourced from PubChem (CID 45031876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).