4-amino-1-(2-bromo-3-fluorophenyl)pyrrolidin-2-one

C10H10BrFN2O — CID 168701150

IUPAC4-amino-1-(2-bromo-3-fluorophenyl)pyrrolidin-2-one
SMILESNC1CC(=O)N(c2cccc(F)c2Br)C1
InChIInChI=1S/C10H10BrFN2O/c11-10-7(12)2-1-3-8(10)14-5-6(13)4-9(14)15/h1-3,6H,4-5,13H2
InChIKeyLFMUQLPRBAVSQE-UHFFFAOYSA-N
MW273.10 g/mol
LogP1.65
Rot. Bonds1

About 4-amino-1-(2-bromo-3-fluorophenyl)pyrrolidin-2-one

4-amino-1-(2-bromo-3-fluorophenyl)pyrrolidin-2-one (PubChem CID 168701150) has the molecular formula C10H10BrFN2O and a molecular weight of 273.10 g/mol. Its IUPAC name is 4-amino-1-(2-bromo-3-fluorophenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-amino-1-(2-bromo-3-fluorophenyl)pyrrolidin-2-one
PubChem CID168701150
Molecular FormulaC10H10BrFN2O
Molecular Weight273.10 g/mol
Exact Mass272.00
IUPAC Name4-amino-1-(2-bromo-3-fluorophenyl)pyrrolidin-2-one
SMILESNC1CC(=O)N(c2cccc(F)c2Br)C1
InChIInChI=1S/C10H10BrFN2O/c11-10-7(12)2-1-3-8(10)14-5-6(13)4-9(14)15/h1-3,6H,4-5,13H2
InChIKeyLFMUQLPRBAVSQE-UHFFFAOYSA-N
XLogP1.65
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.10
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-3-fluorophenyl)-4-chloropyrrolidin-2-one
CID 168689808
methyl 1-(2-bromo-3-fluorophenyl)-5-oxopyrrolidine-3-carboxylate
CID 168695276
4-amino-1-(2-fluoro-3-methoxyphenyl)pyrrolidin-2-one
CID 83807533
4-amino-1-(4-bromonaphthalen-1-yl)pyrrolidin-2-one
CID 113384546
4-amino-1-(3-bromophenyl)pyrrolidin-2-one
CID 43521015
(4R)-4-amino-1-(3-fluorophenyl)pyrrolidin-2-one
CID 26365707
4-(4-amino-2-oxopyrrolidin-1-yl)isoindole-1,3-dione
CID 168700806
1-(2,3-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 168698402
4-amino-1-(3,4-difluorophenyl)pyrrolidin-2-one
CID 43521146
1-(2-bromo-3,4-difluorophenyl)-4-(chloromethyl)pyrrolidin-2-one
CID 168508533
4-amino-1-(4-fluoro-2-methylphenyl)pyrrolidin-2-one
CID 43521142
4-amino-1-(2-nitrophenyl)pyrrolidin-2-one
CID 168700800

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(2-bromo-3-fluorophenyl)pyrrolidin-2-one?
The IUPAC name of 4-amino-1-(2-bromo-3-fluorophenyl)pyrrolidin-2-one (CID 168701150) is 4-amino-1-(2-bromo-3-fluorophenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-amino-1-(2-bromo-3-fluorophenyl)pyrrolidin-2-one?
The canonical SMILES for 4-amino-1-(2-bromo-3-fluorophenyl)pyrrolidin-2-one is NC1CC(=O)N(c2cccc(F)c2Br)C1.
What is the InChIKey of 4-amino-1-(2-bromo-3-fluorophenyl)pyrrolidin-2-one?
The InChIKey is LFMUQLPRBAVSQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrFN2O/c11-10-7(12)2-1-3-8(10)14-5-6(13)4-9(14)15/h1-3,6H,4-5,13H2.
What are the key properties of 4-amino-1-(2-bromo-3-fluorophenyl)pyrrolidin-2-one?
4-amino-1-(2-bromo-3-fluorophenyl)pyrrolidin-2-one has a molecular weight of 273.10 g/mol, XLogP of 1.65, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(2-bromo-3-fluorophenyl)pyrrolidin-2-one is sourced from PubChem (CID 168701150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).