3-(4-bromophenyl)-1-[2-(2,4-difluorophenyl)-2-oxoethyl]-3-methylpyrrolidine-2,5-dione

C19H14BrF2NO3 — CID 155535755

IUPAC3-(4-bromophenyl)-1-[2-(2,4-difluorophenyl)-2-oxoethyl]-3-methylpyrrolidine-2,5-dione
SMILESCC1(c2ccc(Br)cc2)CC(=O)N(CC(=O)c2ccc(F)cc2F)C1=O
InChIInChI=1S/C19H14BrF2NO3/c1-19(11-2-4-12(20)5-3-11)9-17(25)23(18(19)26)10-16(24)14-7-6-13(21)8-15(14)22/h2-8H,9-10H2,1H3
InChIKeyYRPPQMKMQZIBLY-UHFFFAOYSA-N
MW422.23 g/mol
LogP3.63
Rot. Bonds4

About 3-(4-bromophenyl)-1-[2-(2,4-difluorophenyl)-2-oxoethyl]-3-methylpyrrolidine-2,5-dione

3-(4-bromophenyl)-1-[2-(2,4-difluorophenyl)-2-oxoethyl]-3-methylpyrrolidine-2,5-dione (PubChem CID 155535755) has the molecular formula C19H14BrF2NO3 and a molecular weight of 422.23 g/mol. Its IUPAC name is 3-(4-bromophenyl)-1-[2-(2,4-difluorophenyl)-2-oxoethyl]-3-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(4-bromophenyl)-1-[2-(2,4-difluorophenyl)-2-oxoethyl]-3-methylpyrrolidine-2,5-dione
PubChem CID155535755
Molecular FormulaC19H14BrF2NO3
Molecular Weight422.23 g/mol
Exact Mass421.01
IUPAC Name3-(4-bromophenyl)-1-[2-(2,4-difluorophenyl)-2-oxoethyl]-3-methylpyrrolidine-2,5-dione
SMILESCC1(c2ccc(Br)cc2)CC(=O)N(CC(=O)c2ccc(F)cc2F)C1=O
InChIInChI=1S/C19H14BrF2NO3/c1-19(11-2-4-12(20)5-3-11)9-17(25)23(18(19)26)10-16(24)14-7-6-13(21)8-15(14)22/h2-8H,9-10H2,1H3
InChIKeyYRPPQMKMQZIBLY-UHFFFAOYSA-N
XLogP3.63
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.23
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 3-(4-bromophenyl)-1-[2-(2,4-difluorophenyl)-2-oxoethyl]-3-methylpyrrolidine-2,5-dione 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

5-(4-bromophenyl)-3-[2-(2,4-difluorophenyl)-2-oxoethyl]-5-(trifluoromethyl)imidazolidine-2,4-dione
CID 155560615
5-(4-bromo-2-fluorophenyl)-3-[2-(2,4-difluorophenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 155529560
methyl 4-[[2-[(3S)-3-(4-bromophenyl)-3-methyl-2,5-dioxopyrrolidin-1-yl]acetyl]amino]benzoate
CID 95788796
2-[3-(4-bromophenyl)-3-methyl-2,5-dioxopyrrolidin-1-yl]-N-[1-(furan-2-yl)ethyl]acetamide
CID 86882518
1-(2,4-difluorophenyl)-2-(4-hydroxy-4-methylpiperidin-1-yl)ethanone
CID 81103557
1-(2,4-difluorophenyl)-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone
CID 63763175
1-(2,5-difluorophenyl)-3-methyl-3-phenylpyrrolidine-2,5-dione
CID 47015641
4-tert-butyl-1-[2-(2,4-difluorophenyl)-2-oxoethyl]pyrrolidin-2-one
CID 104512276
4-[1-[2-(2,4-difluorophenyl)-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 155539548
N-[4-[1-[2-(2,4-difluorophenyl)-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]benzenesulfonamide
CID 155550370
(5S)-3-[2-(4-bromophenyl)-2-oxoethyl]-5-(2,5-difluorophenyl)-5-methylimidazolidine-2,4-dione
CID 41142691
1-[2-(2,4-difluorophenyl)-2-oxoethyl]-4-ethylpiperazine-2,3-dione
CID 62017862

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-1-[2-(2,4-difluorophenyl)-2-oxoethyl]-3-methylpyrrolidine-2,5-dione?
The IUPAC name of 3-(4-bromophenyl)-1-[2-(2,4-difluorophenyl)-2-oxoethyl]-3-methylpyrrolidine-2,5-dione (CID 155535755) is 3-(4-bromophenyl)-1-[2-(2,4-difluorophenyl)-2-oxoethyl]-3-methylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-(4-bromophenyl)-1-[2-(2,4-difluorophenyl)-2-oxoethyl]-3-methylpyrrolidine-2,5-dione?
The canonical SMILES for 3-(4-bromophenyl)-1-[2-(2,4-difluorophenyl)-2-oxoethyl]-3-methylpyrrolidine-2,5-dione is CC1(c2ccc(Br)cc2)CC(=O)N(CC(=O)c2ccc(F)cc2F)C1=O.
What is the InChIKey of 3-(4-bromophenyl)-1-[2-(2,4-difluorophenyl)-2-oxoethyl]-3-methylpyrrolidine-2,5-dione?
The InChIKey is YRPPQMKMQZIBLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14BrF2NO3/c1-19(11-2-4-12(20)5-3-11)9-17(25)23(18(19)26)10-16(24)14-7-6-13(21)8-15(14)22/h2-8H,9-10H2,1H3.
What are the key properties of 3-(4-bromophenyl)-1-[2-(2,4-difluorophenyl)-2-oxoethyl]-3-methylpyrrolidine-2,5-dione?
3-(4-bromophenyl)-1-[2-(2,4-difluorophenyl)-2-oxoethyl]-3-methylpyrrolidine-2,5-dione has a molecular weight of 422.23 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-1-[2-(2,4-difluorophenyl)-2-oxoethyl]-3-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 155535755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).