1-[(3-bromo-4-fluorophenyl)methyl]-3-methylpyrrolidine-2,5-dione

C12H11BrFNO2 — CID 54970993

IUPAC1-[(3-bromo-4-fluorophenyl)methyl]-3-methylpyrrolidine-2,5-dione
SMILESCC1CC(=O)N(Cc2ccc(F)c(Br)c2)C1=O
InChIInChI=1S/C12H11BrFNO2/c1-7-4-11(16)15(12(7)17)6-8-2-3-10(14)9(13)5-8/h2-3,5,7H,4,6H2,1H3
InChIKeyLUCDCPPTPCOMHQ-UHFFFAOYSA-N
MW300.13 g/mol
LogP2.48
Rot. Bonds2

About 1-[(3-bromo-4-fluorophenyl)methyl]-3-methylpyrrolidine-2,5-dione

1-[(3-bromo-4-fluorophenyl)methyl]-3-methylpyrrolidine-2,5-dione (PubChem CID 54970993) has the molecular formula C12H11BrFNO2 and a molecular weight of 300.13 g/mol. Its IUPAC name is 1-[(3-bromo-4-fluorophenyl)methyl]-3-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[(3-bromo-4-fluorophenyl)methyl]-3-methylpyrrolidine-2,5-dione
PubChem CID54970993
Molecular FormulaC12H11BrFNO2
Molecular Weight300.13 g/mol
Exact Mass299.00
IUPAC Name1-[(3-bromo-4-fluorophenyl)methyl]-3-methylpyrrolidine-2,5-dione
SMILESCC1CC(=O)N(Cc2ccc(F)c(Br)c2)C1=O
InChIInChI=1S/C12H11BrFNO2/c1-7-4-11(16)15(12(7)17)6-8-2-3-10(14)9(13)5-8/h2-3,5,7H,4,6H2,1H3
InChIKeyLUCDCPPTPCOMHQ-UHFFFAOYSA-N
XLogP2.48
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.13
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[(3-bromo-4-fluorophenyl)methyl]-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

1-[[4-(2-aminoethyl)phenyl]methyl]-3-methylpyrrolidine-2,5-dione
CID 62501670
1-[[4-(aminomethyl)phenyl]methyl]-3-methylpyrrolidine-2,5-dione
CID 54980098
3-[(3-bromo-4-fluorophenyl)methyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione
CID 78878457
2-[4-[(3-methyl-2,5-dioxopyrrolidin-1-yl)methyl]phenyl]acetic acid
CID 105345382
1-[(3-bromo-4-fluorophenyl)methyl]-3-methyl-1,4-diazepane-2,5-dione
CID 64882185
2-[(3-bromo-4-fluorophenyl)methyl]-5-(2-methoxyethyl)-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,6-dione
CID 156610622
3-amino-1-[(3-bromo-4-fluorophenyl)methyl]-5-chloro-3H-indol-2-one
CID 43254866
(3R)-1-[[1-(3-chloro-4-fluorophenyl)triazol-4-yl]methyl]-3-methylpyrrolidine-2,5-dione
CID 97350153
1-[(3-bromo-4-fluorophenyl)methyl]-3-propan-2-ylpiperazine-2,5-dione
CID 64879560
5-[(3-methyl-2,5-dioxopyrrolidin-1-yl)methyl]pyridine-2-carboxylic acid
CID 81098760
1-[(3-bromo-4-fluorophenyl)methyl]-3-methyl-6-propan-2-ylpiperazine-2,5-dione
CID 64875269
1-[(2-hydroxyphenyl)methyl]-3-methylpyrrolidine-2,5-dione
CID 114332824

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromo-4-fluorophenyl)methyl]-3-methylpyrrolidine-2,5-dione?
The IUPAC name of 1-[(3-bromo-4-fluorophenyl)methyl]-3-methylpyrrolidine-2,5-dione (CID 54970993) is 1-[(3-bromo-4-fluorophenyl)methyl]-3-methylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-[(3-bromo-4-fluorophenyl)methyl]-3-methylpyrrolidine-2,5-dione?
The canonical SMILES for 1-[(3-bromo-4-fluorophenyl)methyl]-3-methylpyrrolidine-2,5-dione is CC1CC(=O)N(Cc2ccc(F)c(Br)c2)C1=O.
What is the InChIKey of 1-[(3-bromo-4-fluorophenyl)methyl]-3-methylpyrrolidine-2,5-dione?
The InChIKey is LUCDCPPTPCOMHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrFNO2/c1-7-4-11(16)15(12(7)17)6-8-2-3-10(14)9(13)5-8/h2-3,5,7H,4,6H2,1H3.
What are the key properties of 1-[(3-bromo-4-fluorophenyl)methyl]-3-methylpyrrolidine-2,5-dione?
1-[(3-bromo-4-fluorophenyl)methyl]-3-methylpyrrolidine-2,5-dione has a molecular weight of 300.13 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromo-4-fluorophenyl)methyl]-3-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 54970993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).