3-(5-bromo-4-fluoro-2-methylanilino)-1-propylpyrrolidine-2,5-dione

C14H16BrFN2O2 — CID 107591763

IUPAC3-(5-bromo-4-fluoro-2-methylanilino)-1-propylpyrrolidine-2,5-dione
SMILESCCCN1C(=O)CC(Nc2cc(Br)c(F)cc2C)C1=O
InChIInChI=1S/C14H16BrFN2O2/c1-3-4-18-13(19)7-12(14(18)20)17-11-6-9(15)10(16)5-8(11)2/h5-6,12,17H,3-4,7H2,1-2H3
InChIKeyCRFREAADVUETGD-UHFFFAOYSA-N
MW343.20 g/mol
LogP2.85
Rot. Bonds4

About 3-(5-bromo-4-fluoro-2-methylanilino)-1-propylpyrrolidine-2,5-dione

3-(5-bromo-4-fluoro-2-methylanilino)-1-propylpyrrolidine-2,5-dione (PubChem CID 107591763) has the molecular formula C14H16BrFN2O2 and a molecular weight of 343.20 g/mol. Its IUPAC name is 3-(5-bromo-4-fluoro-2-methylanilino)-1-propylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(5-bromo-4-fluoro-2-methylanilino)-1-propylpyrrolidine-2,5-dione
PubChem CID107591763
Molecular FormulaC14H16BrFN2O2
Molecular Weight343.20 g/mol
Exact Mass342.04
IUPAC Name3-(5-bromo-4-fluoro-2-methylanilino)-1-propylpyrrolidine-2,5-dione
SMILESCCCN1C(=O)CC(Nc2cc(Br)c(F)cc2C)C1=O
InChIInChI=1S/C14H16BrFN2O2/c1-3-4-18-13(19)7-12(14(18)20)17-11-6-9(15)10(16)5-8(11)2/h5-6,12,17H,3-4,7H2,1-2H3
InChIKeyCRFREAADVUETGD-UHFFFAOYSA-N
XLogP2.85
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.20
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(5-bromo-2,4-difluoroanilino)-1-propylpyrrolidine-2,5-dione
CID 102853277
3-(2,5-difluoro-4-methylanilino)-1-propylpyrrolidine-2,5-dione
CID 103585414
1-propyl-3-(3,4,5-trifluoroanilino)pyrrolidine-2,5-dione
CID 62809172
3-(5-bromo-2-chloroanilino)-1-propylpyrrolidine-2,5-dione
CID 62914482
2-[(2,5-dioxo-1-propylpyrrolidin-3-yl)amino]-6-fluorobenzonitrile
CID 43636859
4-bromo-2-[(2,5-dioxo-1-propylpyrrolidin-3-yl)amino]benzonitrile
CID 107797790
1-ethyl-3-(2-fluoro-5-methylanilino)pyrrolidine-2,5-dione
CID 43636618
3-(2,4-dimethylanilino)-1-ethylpyrrolidine-2,5-dione
CID 17420290
3-(4-chloro-2-fluoroanilino)-1-ethylpyrrolidine-2,5-dione
CID 60706396
3-(4-methyl-3-nitroanilino)-1-propylpyrrolidine-2,5-dione
CID 43636508
3-(4-tert-butylanilino)-1-propylpyrrolidine-2,5-dione
CID 43636391
3-(4-bromo-5-fluoro-2-nitroanilino)-1-methylpyrrolidine-2,5-dione
CID 66112047

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-4-fluoro-2-methylanilino)-1-propylpyrrolidine-2,5-dione?
The IUPAC name of 3-(5-bromo-4-fluoro-2-methylanilino)-1-propylpyrrolidine-2,5-dione (CID 107591763) is 3-(5-bromo-4-fluoro-2-methylanilino)-1-propylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-(5-bromo-4-fluoro-2-methylanilino)-1-propylpyrrolidine-2,5-dione?
The canonical SMILES for 3-(5-bromo-4-fluoro-2-methylanilino)-1-propylpyrrolidine-2,5-dione is CCCN1C(=O)CC(Nc2cc(Br)c(F)cc2C)C1=O.
What is the InChIKey of 3-(5-bromo-4-fluoro-2-methylanilino)-1-propylpyrrolidine-2,5-dione?
The InChIKey is CRFREAADVUETGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrFN2O2/c1-3-4-18-13(19)7-12(14(18)20)17-11-6-9(15)10(16)5-8(11)2/h5-6,12,17H,3-4,7H2,1-2H3.
What are the key properties of 3-(5-bromo-4-fluoro-2-methylanilino)-1-propylpyrrolidine-2,5-dione?
3-(5-bromo-4-fluoro-2-methylanilino)-1-propylpyrrolidine-2,5-dione has a molecular weight of 343.20 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-4-fluoro-2-methylanilino)-1-propylpyrrolidine-2,5-dione is sourced from PubChem (CID 107591763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).