2-(3-hydroxyphenyl)-4-(4-methylanilino)-1-[4-(trifluoromethyl)phenyl]-2H-pyrrol-5-one

C24H19F3N2O2 — CID 70965380

IUPAC2-(3-hydroxyphenyl)-4-(4-methylanilino)-1-[4-(trifluoromethyl)phenyl]-2H-pyrrol-5-one
SMILESCc1ccc(NC2=CC(c3cccc(O)c3)N(c3ccc(C(F)(F)F)cc3)C2=O)cc1
InChIInChI=1S/C24H19F3N2O2/c1-15-5-9-18(10-6-15)28-21-14-22(16-3-2-4-20(30)13-16)29(23(21)31)19-11-7-17(8-12-19)24(25,26)27/h2-14,22,28,30H,1H3
InChIKeyOEYCPWIHOHOTFJ-UHFFFAOYSA-N
MW424.42 g/mol
LogP5.80
Rot. Bonds4

About 2-(3-hydroxyphenyl)-4-(4-methylanilino)-1-[4-(trifluoromethyl)phenyl]-2H-pyrrol-5-one

2-(3-hydroxyphenyl)-4-(4-methylanilino)-1-[4-(trifluoromethyl)phenyl]-2H-pyrrol-5-one (PubChem CID 70965380) has the molecular formula C24H19F3N2O2 and a molecular weight of 424.42 g/mol. Its IUPAC name is 2-(3-hydroxyphenyl)-4-(4-methylanilino)-1-[4-(trifluoromethyl)phenyl]-2H-pyrrol-5-one.

Molecular Properties

Compound Name2-(3-hydroxyphenyl)-4-(4-methylanilino)-1-[4-(trifluoromethyl)phenyl]-2H-pyrrol-5-one
PubChem CID70965380
Molecular FormulaC24H19F3N2O2
Molecular Weight424.42 g/mol
Exact Mass424.14
IUPAC Name2-(3-hydroxyphenyl)-4-(4-methylanilino)-1-[4-(trifluoromethyl)phenyl]-2H-pyrrol-5-one
SMILESCc1ccc(NC2=CC(c3cccc(O)c3)N(c3ccc(C(F)(F)F)cc3)C2=O)cc1
InChIInChI=1S/C24H19F3N2O2/c1-15-5-9-18(10-6-15)28-21-14-22(16-3-2-4-20(30)13-16)29(23(21)31)19-11-7-17(8-12-19)24(25,26)27/h2-14,22,28,30H,1H3
InChIKeyOEYCPWIHOHOTFJ-UHFFFAOYSA-N
XLogP5.80
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.42
LogP ≤ 55.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxyphenyl)-4-(4-methylanilino)-1-[4-(trifluoromethyl)phenyl]-2H-pyrrol-5-one?
The IUPAC name of 2-(3-hydroxyphenyl)-4-(4-methylanilino)-1-[4-(trifluoromethyl)phenyl]-2H-pyrrol-5-one (CID 70965380) is 2-(3-hydroxyphenyl)-4-(4-methylanilino)-1-[4-(trifluoromethyl)phenyl]-2H-pyrrol-5-one.
What is the SMILES notation for 2-(3-hydroxyphenyl)-4-(4-methylanilino)-1-[4-(trifluoromethyl)phenyl]-2H-pyrrol-5-one?
The canonical SMILES for 2-(3-hydroxyphenyl)-4-(4-methylanilino)-1-[4-(trifluoromethyl)phenyl]-2H-pyrrol-5-one is Cc1ccc(NC2=CC(c3cccc(O)c3)N(c3ccc(C(F)(F)F)cc3)C2=O)cc1.
What is the InChIKey of 2-(3-hydroxyphenyl)-4-(4-methylanilino)-1-[4-(trifluoromethyl)phenyl]-2H-pyrrol-5-one?
The InChIKey is OEYCPWIHOHOTFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N2O2/c1-15-5-9-18(10-6-15)28-21-14-22(16-3-2-4-20(30)13-16)29(23(21)31)19-11-7-17(8-12-19)24(25,26)27/h2-14,22,28,30H,1H3.
What are the key properties of 2-(3-hydroxyphenyl)-4-(4-methylanilino)-1-[4-(trifluoromethyl)phenyl]-2H-pyrrol-5-one?
2-(3-hydroxyphenyl)-4-(4-methylanilino)-1-[4-(trifluoromethyl)phenyl]-2H-pyrrol-5-one has a molecular weight of 424.42 g/mol, XLogP of 5.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxyphenyl)-4-(4-methylanilino)-1-[4-(trifluoromethyl)phenyl]-2H-pyrrol-5-one is sourced from PubChem (CID 70965380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).