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

C24H19ClFNO2 — CID 45031837

IUPAC2-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]-4-hydroxy-3-(4-methylphenyl)-2H-pyrrol-5-one
SMILESCc1ccc(C2=C(O)C(=O)N(Cc3ccc(F)cc3)C2c2ccc(Cl)cc2)cc1
InChIInChI=1S/C24H19ClFNO2/c1-15-2-6-17(7-3-15)21-22(18-8-10-19(25)11-9-18)27(24(29)23(21)28)14-16-4-12-20(26)13-5-16/h2-13,22,28H,14H2,1H3
InChIKeyRKEWZTQBIDRTGH-UHFFFAOYSA-N
MW407.87 g/mol
LogP5.84
Rot. Bonds4

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

2-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]-4-hydroxy-3-(4-methylphenyl)-2H-pyrrol-5-one (PubChem CID 45031837) has the molecular formula C24H19ClFNO2 and a molecular weight of 407.87 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]-4-hydroxy-3-(4-methylphenyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]-4-hydroxy-3-(4-methylphenyl)-2H-pyrrol-5-one
PubChem CID45031837
Molecular FormulaC24H19ClFNO2
Molecular Weight407.87 g/mol
Exact Mass407.11
IUPAC Name2-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]-4-hydroxy-3-(4-methylphenyl)-2H-pyrrol-5-one
SMILESCc1ccc(C2=C(O)C(=O)N(Cc3ccc(F)cc3)C2c2ccc(Cl)cc2)cc1
InChIInChI=1S/C24H19ClFNO2/c1-15-2-6-17(7-3-15)21-22(18-8-10-19(25)11-9-18)27(24(29)23(21)28)14-16-4-12-20(26)13-5-16/h2-13,22,28H,14H2,1H3
InChIKeyRKEWZTQBIDRTGH-UHFFFAOYSA-N
XLogP5.84
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.87
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]-4-hydroxy-3-(4-methylphenyl)-2H-pyrrol-5-one?
The IUPAC name of 2-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]-4-hydroxy-3-(4-methylphenyl)-2H-pyrrol-5-one (CID 45031837) is 2-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]-4-hydroxy-3-(4-methylphenyl)-2H-pyrrol-5-one.
What is the SMILES notation for 2-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]-4-hydroxy-3-(4-methylphenyl)-2H-pyrrol-5-one?
The canonical SMILES for 2-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]-4-hydroxy-3-(4-methylphenyl)-2H-pyrrol-5-one is Cc1ccc(C2=C(O)C(=O)N(Cc3ccc(F)cc3)C2c2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]-4-hydroxy-3-(4-methylphenyl)-2H-pyrrol-5-one?
The InChIKey is RKEWZTQBIDRTGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClFNO2/c1-15-2-6-17(7-3-15)21-22(18-8-10-19(25)11-9-18)27(24(29)23(21)28)14-16-4-12-20(26)13-5-16/h2-13,22,28H,14H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]-4-hydroxy-3-(4-methylphenyl)-2H-pyrrol-5-one?
2-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]-4-hydroxy-3-(4-methylphenyl)-2H-pyrrol-5-one has a molecular weight of 407.87 g/mol, XLogP of 5.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]-4-hydroxy-3-(4-methylphenyl)-2H-pyrrol-5-one is sourced from PubChem (CID 45031837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).