3-[(5-bromo-2-fluorophenyl)methylamino]-1-ethylpyrrolidine-2,5-dione

C13H14BrFN2O2 — CID 61299860

IUPAC3-[(5-bromo-2-fluorophenyl)methylamino]-1-ethylpyrrolidine-2,5-dione
SMILESCCN1C(=O)CC(NCc2cc(Br)ccc2F)C1=O
InChIInChI=1S/C13H14BrFN2O2/c1-2-17-12(18)6-11(13(17)19)16-7-8-5-9(14)3-4-10(8)15/h3-5,11,16H,2,6-7H2,1H3
InChIKeyVDFNWDNEXCAGMJ-UHFFFAOYSA-N
MW329.17 g/mol
LogP1.83
Rot. Bonds4

About 3-[(5-bromo-2-fluorophenyl)methylamino]-1-ethylpyrrolidine-2,5-dione

3-[(5-bromo-2-fluorophenyl)methylamino]-1-ethylpyrrolidine-2,5-dione (PubChem CID 61299860) has the molecular formula C13H14BrFN2O2 and a molecular weight of 329.17 g/mol. Its IUPAC name is 3-[(5-bromo-2-fluorophenyl)methylamino]-1-ethylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[(5-bromo-2-fluorophenyl)methylamino]-1-ethylpyrrolidine-2,5-dione
PubChem CID61299860
Molecular FormulaC13H14BrFN2O2
Molecular Weight329.17 g/mol
Exact Mass328.02
IUPAC Name3-[(5-bromo-2-fluorophenyl)methylamino]-1-ethylpyrrolidine-2,5-dione
SMILESCCN1C(=O)CC(NCc2cc(Br)ccc2F)C1=O
InChIInChI=1S/C13H14BrFN2O2/c1-2-17-12(18)6-11(13(17)19)16-7-8-5-9(14)3-4-10(8)15/h3-5,11,16H,2,6-7H2,1H3
InChIKeyVDFNWDNEXCAGMJ-UHFFFAOYSA-N
XLogP1.83
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.17
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[(5-bromo-2-fluorophenyl)methylamino]-1-ethylpyrrolidine-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

3-[(2-bromo-5-fluorophenyl)methylamino]-1-ethylpyrrolidine-2,5-dione
CID 54902832
3-(4-chloro-2-fluoroanilino)-1-ethylpyrrolidine-2,5-dione
CID 60706396
1-ethyl-3-(2-fluoro-5-methylanilino)pyrrolidine-2,5-dione
CID 43636618
3-[(5-bromo-2-fluorophenyl)methylamino]azepan-2-one;hydrochloride
CID 47185904
3-(2,6-difluoro-3-methylanilino)-1-ethylpyrrolidine-2,5-dione
CID 82819042
1-ethyl-3-[(3-ethyl-2-pyridinyl)methylamino]pyrrolidine-2,5-dione
CID 82735197
N-[(5-bromo-2-fluorophenyl)methyl]-2,2-dimethylcyclopropan-1-amine
CID 61221751
N-[(5-bromo-2-fluorophenyl)methyl]-3-(4-bromophenyl)cyclobutan-1-amine
CID 63455619
4-bromo-2-ethyl-1-fluorobenzene
CID 22641025
N-[(5-bromo-2-fluorophenyl)methyl]-1-oxothian-4-amine
CID 54981395
1-ethyl-3-[(3-nitrophenyl)methylamino]pyrrolidine-2,5-dione
CID 62505760
1-ethyl-3-(methylamino)pyrrolidine-2,5-dione
CID 43636114

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromo-2-fluorophenyl)methylamino]-1-ethylpyrrolidine-2,5-dione?
The IUPAC name of 3-[(5-bromo-2-fluorophenyl)methylamino]-1-ethylpyrrolidine-2,5-dione (CID 61299860) is 3-[(5-bromo-2-fluorophenyl)methylamino]-1-ethylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-[(5-bromo-2-fluorophenyl)methylamino]-1-ethylpyrrolidine-2,5-dione?
The canonical SMILES for 3-[(5-bromo-2-fluorophenyl)methylamino]-1-ethylpyrrolidine-2,5-dione is CCN1C(=O)CC(NCc2cc(Br)ccc2F)C1=O.
What is the InChIKey of 3-[(5-bromo-2-fluorophenyl)methylamino]-1-ethylpyrrolidine-2,5-dione?
The InChIKey is VDFNWDNEXCAGMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrFN2O2/c1-2-17-12(18)6-11(13(17)19)16-7-8-5-9(14)3-4-10(8)15/h3-5,11,16H,2,6-7H2,1H3.
What are the key properties of 3-[(5-bromo-2-fluorophenyl)methylamino]-1-ethylpyrrolidine-2,5-dione?
3-[(5-bromo-2-fluorophenyl)methylamino]-1-ethylpyrrolidine-2,5-dione has a molecular weight of 329.17 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromo-2-fluorophenyl)methylamino]-1-ethylpyrrolidine-2,5-dione is sourced from PubChem (CID 61299860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).