4-anilino-2-(1,3-benzodioxol-5-yl)-3-methyl-1-phenyl-2H-pyrrol-5-one

C24H20N2O3 — CID 73438685

IUPAC4-anilino-2-(1,3-benzodioxol-5-yl)-3-methyl-1-phenyl-2H-pyrrol-5-one
SMILESCC1=C(Nc2ccccc2)C(=O)N(c2ccccc2)C1c1ccc2c(c1)OCO2
InChIInChI=1S/C24H20N2O3/c1-16-22(25-18-8-4-2-5-9-18)24(27)26(19-10-6-3-7-11-19)23(16)17-12-13-20-21(14-17)29-15-28-20/h2-14,23,25H,15H2,1H3
InChIKeyKXLJHOFLIOMHIF-UHFFFAOYSA-N
MW384.44 g/mol
LogP4.89
Rot. Bonds4

About 4-anilino-2-(1,3-benzodioxol-5-yl)-3-methyl-1-phenyl-2H-pyrrol-5-one

4-anilino-2-(1,3-benzodioxol-5-yl)-3-methyl-1-phenyl-2H-pyrrol-5-one (PubChem CID 73438685) has the molecular formula C24H20N2O3 and a molecular weight of 384.44 g/mol. Its IUPAC name is 4-anilino-2-(1,3-benzodioxol-5-yl)-3-methyl-1-phenyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name4-anilino-2-(1,3-benzodioxol-5-yl)-3-methyl-1-phenyl-2H-pyrrol-5-one
PubChem CID73438685
Molecular FormulaC24H20N2O3
Molecular Weight384.44 g/mol
Exact Mass384.15
IUPAC Name4-anilino-2-(1,3-benzodioxol-5-yl)-3-methyl-1-phenyl-2H-pyrrol-5-one
SMILESCC1=C(Nc2ccccc2)C(=O)N(c2ccccc2)C1c1ccc2c(c1)OCO2
InChIInChI=1S/C24H20N2O3/c1-16-22(25-18-8-4-2-5-9-18)24(27)26(19-10-6-3-7-11-19)23(16)17-12-13-20-21(14-17)29-15-28-20/h2-14,23,25H,15H2,1H3
InChIKeyKXLJHOFLIOMHIF-UHFFFAOYSA-N
XLogP4.89
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-anilino-2-(1,3-benzodioxol-5-yl)-3-methyl-1-phenyl-2H-pyrrol-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1,3-benzodioxol-5-yl)-4-(4-methylanilino)-1-(4-methylphenyl)-2H-pyrrol-5-one
CID 4693509
(5S)-5-(1,3-benzodioxol-5-yl)-1-(3-chlorophenyl)-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione
CID 6752171
(5R)-5-(1,3-benzodioxol-5-yl)-1-(3-chloro-4-methylphenyl)-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione
CID 1239396
(4E)-5-(1,3-benzodioxol-5-yl)-1-(3-chloro-4-methylphenyl)-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione
CID 5291422
(5S)-5-(1,3-benzodioxol-5-yl)-1-(3-chloro-4-methylphenyl)-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione
CID 1239395
(4Z)-4-[1,3-benzodioxol-5-yl(hydroxy)methylidene]-5-(4-tert-butylphenyl)-1-phenylpyrrolidine-2,3-dione
CID 108585598
(4E)-4-[1,3-benzodioxol-5-yl(hydroxy)methylidene]-5-(2-methylphenyl)-1-phenylpyrrolidine-2,3-dione
CID 108651001
2-(1,3-benzodioxol-5-yl)-3-(4-methylphenyl)-1,2-dihydroquinazolin-4-one
CID 3115659
3-(1,3-benzodioxol-5-ylamino)-4-chloro-1-phenylpyrrole-2,5-dione
CID 698998
3-(1,3-benzodioxol-5-ylamino)-4-(3,4-dimethylphenyl)-1-phenylpyrrole-2,5-dione
CID 110550191
3-(1,3-benzodioxol-5-ylamino)-1-(3-methylphenyl)-4-phenylpyrrole-2,5-dione
CID 110561275
methyl 2-[(2R)-2-(1,3-benzodioxol-5-yl)-3-[hydroxy(phenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]acetate
CID 1146861

Frequently Asked Questions

What is the IUPAC name of 4-anilino-2-(1,3-benzodioxol-5-yl)-3-methyl-1-phenyl-2H-pyrrol-5-one?
The IUPAC name of 4-anilino-2-(1,3-benzodioxol-5-yl)-3-methyl-1-phenyl-2H-pyrrol-5-one (CID 73438685) is 4-anilino-2-(1,3-benzodioxol-5-yl)-3-methyl-1-phenyl-2H-pyrrol-5-one.
What is the SMILES notation for 4-anilino-2-(1,3-benzodioxol-5-yl)-3-methyl-1-phenyl-2H-pyrrol-5-one?
The canonical SMILES for 4-anilino-2-(1,3-benzodioxol-5-yl)-3-methyl-1-phenyl-2H-pyrrol-5-one is CC1=C(Nc2ccccc2)C(=O)N(c2ccccc2)C1c1ccc2c(c1)OCO2.
What is the InChIKey of 4-anilino-2-(1,3-benzodioxol-5-yl)-3-methyl-1-phenyl-2H-pyrrol-5-one?
The InChIKey is KXLJHOFLIOMHIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O3/c1-16-22(25-18-8-4-2-5-9-18)24(27)26(19-10-6-3-7-11-19)23(16)17-12-13-20-21(14-17)29-15-28-20/h2-14,23,25H,15H2,1H3.
What are the key properties of 4-anilino-2-(1,3-benzodioxol-5-yl)-3-methyl-1-phenyl-2H-pyrrol-5-one?
4-anilino-2-(1,3-benzodioxol-5-yl)-3-methyl-1-phenyl-2H-pyrrol-5-one has a molecular weight of 384.44 g/mol, XLogP of 4.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anilino-2-(1,3-benzodioxol-5-yl)-3-methyl-1-phenyl-2H-pyrrol-5-one is sourced from PubChem (CID 73438685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).