2-(3-bromophenyl)-4-(3-methylanilino)-1-(3-methylphenyl)-2H-pyrrol-5-one

C24H21BrN2O — CID 15991306

IUPAC2-(3-bromophenyl)-4-(3-methylanilino)-1-(3-methylphenyl)-2H-pyrrol-5-one
SMILESCc1cccc(NC2=CC(c3cccc(Br)c3)N(c3cccc(C)c3)C2=O)c1
InChIInChI=1S/C24H21BrN2O/c1-16-6-3-10-20(12-16)26-22-15-23(18-8-5-9-19(25)14-18)27(24(22)28)21-11-4-7-17(2)13-21/h3-15,23,26H,1-2H3
InChIKeyNAAOUOCATOCIFX-UHFFFAOYSA-N
MW433.35 g/mol
LogP6.15
Rot. Bonds4

About 2-(3-bromophenyl)-4-(3-methylanilino)-1-(3-methylphenyl)-2H-pyrrol-5-one

2-(3-bromophenyl)-4-(3-methylanilino)-1-(3-methylphenyl)-2H-pyrrol-5-one (PubChem CID 15991306) has the molecular formula C24H21BrN2O and a molecular weight of 433.35 g/mol. Its IUPAC name is 2-(3-bromophenyl)-4-(3-methylanilino)-1-(3-methylphenyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name2-(3-bromophenyl)-4-(3-methylanilino)-1-(3-methylphenyl)-2H-pyrrol-5-one
PubChem CID15991306
Molecular FormulaC24H21BrN2O
Molecular Weight433.35 g/mol
Exact Mass432.08
IUPAC Name2-(3-bromophenyl)-4-(3-methylanilino)-1-(3-methylphenyl)-2H-pyrrol-5-one
SMILESCc1cccc(NC2=CC(c3cccc(Br)c3)N(c3cccc(C)c3)C2=O)c1
InChIInChI=1S/C24H21BrN2O/c1-16-6-3-10-20(12-16)26-22-15-23(18-8-5-9-19(25)14-18)27(24(22)28)21-11-4-7-17(2)13-21/h3-15,23,26H,1-2H3
InChIKeyNAAOUOCATOCIFX-UHFFFAOYSA-N
XLogP6.15
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.35
LogP ≤ 56.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-4-(3-methylanilino)-1-(3-methylphenyl)-2H-pyrrol-5-one?
The IUPAC name of 2-(3-bromophenyl)-4-(3-methylanilino)-1-(3-methylphenyl)-2H-pyrrol-5-one (CID 15991306) is 2-(3-bromophenyl)-4-(3-methylanilino)-1-(3-methylphenyl)-2H-pyrrol-5-one.
What is the SMILES notation for 2-(3-bromophenyl)-4-(3-methylanilino)-1-(3-methylphenyl)-2H-pyrrol-5-one?
The canonical SMILES for 2-(3-bromophenyl)-4-(3-methylanilino)-1-(3-methylphenyl)-2H-pyrrol-5-one is Cc1cccc(NC2=CC(c3cccc(Br)c3)N(c3cccc(C)c3)C2=O)c1.
What is the InChIKey of 2-(3-bromophenyl)-4-(3-methylanilino)-1-(3-methylphenyl)-2H-pyrrol-5-one?
The InChIKey is NAAOUOCATOCIFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21BrN2O/c1-16-6-3-10-20(12-16)26-22-15-23(18-8-5-9-19(25)14-18)27(24(22)28)21-11-4-7-17(2)13-21/h3-15,23,26H,1-2H3.
What are the key properties of 2-(3-bromophenyl)-4-(3-methylanilino)-1-(3-methylphenyl)-2H-pyrrol-5-one?
2-(3-bromophenyl)-4-(3-methylanilino)-1-(3-methylphenyl)-2H-pyrrol-5-one has a molecular weight of 433.35 g/mol, XLogP of 6.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-4-(3-methylanilino)-1-(3-methylphenyl)-2H-pyrrol-5-one is sourced from PubChem (CID 15991306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).