4-(2-amino-4-bromo-5-fluoroanilino)pyrrolidin-2-one

C10H11BrFN3O — CID 106183031

IUPAC4-(2-amino-4-bromo-5-fluoroanilino)pyrrolidin-2-one
SMILESNc1cc(Br)c(F)cc1NC1CNC(=O)C1
InChIInChI=1S/C10H11BrFN3O/c11-6-2-8(13)9(3-7(6)12)15-5-1-10(16)14-4-5/h2-3,5,15H,1,4,13H2,(H,14,16)
InChIKeyTXOXZOAWZQOXOZ-UHFFFAOYSA-N
MW288.12 g/mol
LogP1.47
Rot. Bonds2

About 4-(2-amino-4-bromo-5-fluoroanilino)pyrrolidin-2-one

4-(2-amino-4-bromo-5-fluoroanilino)pyrrolidin-2-one (PubChem CID 106183031) has the molecular formula C10H11BrFN3O and a molecular weight of 288.12 g/mol. Its IUPAC name is 4-(2-amino-4-bromo-5-fluoroanilino)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(2-amino-4-bromo-5-fluoroanilino)pyrrolidin-2-one
PubChem CID106183031
Molecular FormulaC10H11BrFN3O
Molecular Weight288.12 g/mol
Exact Mass287.01
IUPAC Name4-(2-amino-4-bromo-5-fluoroanilino)pyrrolidin-2-one
SMILESNc1cc(Br)c(F)cc1NC1CNC(=O)C1
InChIInChI=1S/C10H11BrFN3O/c11-6-2-8(13)9(3-7(6)12)15-5-1-10(16)14-4-5/h2-3,5,15H,1,4,13H2,(H,14,16)
InChIKeyTXOXZOAWZQOXOZ-UHFFFAOYSA-N
XLogP1.47
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.12
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2-amino-5-chloro-4-fluoroanilino)pyrrolidin-2-one
CID 106183056
4-(4-amino-2-bromo-5-methylanilino)pyrrolidin-2-one
CID 106183183
3-(2-amino-4-bromo-5-fluoroanilino)piperidine-2,6-dione
CID 66110561
2-amino-5-bromo-4-fluoro-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide
CID 106180872
4-[(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)amino]pyrrolidin-2-one
CID 114155126
4-(2-amino-4,5-dimethoxyanilino)pyrrolidin-2-one
CID 114155142
4-(4-amino-2-fluoro-5-methoxyanilino)pyrrolidin-2-one
CID 106183235
4-bromo-5-fluoro-1-N-(3,3,5,5-tetramethylcyclohexyl)benzene-1,2-diamine
CID 103965326
4-bromo-5-fluoro-1-N-(1-methylpiperidin-4-yl)benzene-1,2-diamine
CID 66111099
3-amino-4-[(5-oxopyrrolidin-3-yl)amino]benzonitrile
CID 106182837
4-(4-amino-2-chloroanilino)pyrrolidin-2-one
CID 106182668
N-(5-bromo-2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 102848007

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-4-bromo-5-fluoroanilino)pyrrolidin-2-one?
The IUPAC name of 4-(2-amino-4-bromo-5-fluoroanilino)pyrrolidin-2-one (CID 106183031) is 4-(2-amino-4-bromo-5-fluoroanilino)pyrrolidin-2-one.
What is the SMILES notation for 4-(2-amino-4-bromo-5-fluoroanilino)pyrrolidin-2-one?
The canonical SMILES for 4-(2-amino-4-bromo-5-fluoroanilino)pyrrolidin-2-one is Nc1cc(Br)c(F)cc1NC1CNC(=O)C1.
What is the InChIKey of 4-(2-amino-4-bromo-5-fluoroanilino)pyrrolidin-2-one?
The InChIKey is TXOXZOAWZQOXOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrFN3O/c11-6-2-8(13)9(3-7(6)12)15-5-1-10(16)14-4-5/h2-3,5,15H,1,4,13H2,(H,14,16).
What are the key properties of 4-(2-amino-4-bromo-5-fluoroanilino)pyrrolidin-2-one?
4-(2-amino-4-bromo-5-fluoroanilino)pyrrolidin-2-one has a molecular weight of 288.12 g/mol, XLogP of 1.47, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-4-bromo-5-fluoroanilino)pyrrolidin-2-one is sourced from PubChem (CID 106183031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).