1,2-bis(4-chlorophenyl)-4-hydroxy-3-(4-methylphenyl)-2H-pyrrol-5-one

C23H17Cl2NO2 — CID 50774317

IUPAC1,2-bis(4-chlorophenyl)-4-hydroxy-3-(4-methylphenyl)-2H-pyrrol-5-one
SMILESCc1ccc(C2=C(O)C(=O)N(c3ccc(Cl)cc3)C2c2ccc(Cl)cc2)cc1
InChIInChI=1S/C23H17Cl2NO2/c1-14-2-4-15(5-3-14)20-21(16-6-8-17(24)9-7-16)26(23(28)22(20)27)19-12-10-18(25)11-13-19/h2-13,21,27H,1H3
InChIKeyIWXYLKBRWSMZGI-UHFFFAOYSA-N
MW410.30 g/mol
LogP6.36
Rot. Bonds3

About 1,2-bis(4-chlorophenyl)-4-hydroxy-3-(4-methylphenyl)-2H-pyrrol-5-one

1,2-bis(4-chlorophenyl)-4-hydroxy-3-(4-methylphenyl)-2H-pyrrol-5-one (PubChem CID 50774317) has the molecular formula C23H17Cl2NO2 and a molecular weight of 410.30 g/mol. Its IUPAC name is 1,2-bis(4-chlorophenyl)-4-hydroxy-3-(4-methylphenyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name1,2-bis(4-chlorophenyl)-4-hydroxy-3-(4-methylphenyl)-2H-pyrrol-5-one
PubChem CID50774317
Molecular FormulaC23H17Cl2NO2
Molecular Weight410.30 g/mol
Exact Mass409.06
IUPAC Name1,2-bis(4-chlorophenyl)-4-hydroxy-3-(4-methylphenyl)-2H-pyrrol-5-one
SMILESCc1ccc(C2=C(O)C(=O)N(c3ccc(Cl)cc3)C2c2ccc(Cl)cc2)cc1
InChIInChI=1S/C23H17Cl2NO2/c1-14-2-4-15(5-3-14)20-21(16-6-8-17(24)9-7-16)26(23(28)22(20)27)19-12-10-18(25)11-13-19/h2-13,21,27H,1H3
InChIKeyIWXYLKBRWSMZGI-UHFFFAOYSA-N
XLogP6.36
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.30
LogP ≤ 56.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2-bis(4-chlorophenyl)-4-hydroxy-3-(4-methylphenyl)-2H-pyrrol-5-one?
The IUPAC name of 1,2-bis(4-chlorophenyl)-4-hydroxy-3-(4-methylphenyl)-2H-pyrrol-5-one (CID 50774317) is 1,2-bis(4-chlorophenyl)-4-hydroxy-3-(4-methylphenyl)-2H-pyrrol-5-one.
What is the SMILES notation for 1,2-bis(4-chlorophenyl)-4-hydroxy-3-(4-methylphenyl)-2H-pyrrol-5-one?
The canonical SMILES for 1,2-bis(4-chlorophenyl)-4-hydroxy-3-(4-methylphenyl)-2H-pyrrol-5-one is Cc1ccc(C2=C(O)C(=O)N(c3ccc(Cl)cc3)C2c2ccc(Cl)cc2)cc1.
What is the InChIKey of 1,2-bis(4-chlorophenyl)-4-hydroxy-3-(4-methylphenyl)-2H-pyrrol-5-one?
The InChIKey is IWXYLKBRWSMZGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17Cl2NO2/c1-14-2-4-15(5-3-14)20-21(16-6-8-17(24)9-7-16)26(23(28)22(20)27)19-12-10-18(25)11-13-19/h2-13,21,27H,1H3.
What are the key properties of 1,2-bis(4-chlorophenyl)-4-hydroxy-3-(4-methylphenyl)-2H-pyrrol-5-one?
1,2-bis(4-chlorophenyl)-4-hydroxy-3-(4-methylphenyl)-2H-pyrrol-5-one has a molecular weight of 410.30 g/mol, XLogP of 6.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(4-chlorophenyl)-4-hydroxy-3-(4-methylphenyl)-2H-pyrrol-5-one is sourced from PubChem (CID 50774317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).