1-(2-bromo-6-chloro-4-fluorophenyl)-3-(methylamino)pyrrolidin-2-one

C11H11BrClFN2O — CID 107613039

IUPAC1-(2-bromo-6-chloro-4-fluorophenyl)-3-(methylamino)pyrrolidin-2-one
SMILESCNC1CCN(c2c(Cl)cc(F)cc2Br)C1=O
InChIInChI=1S/C11H11BrClFN2O/c1-15-9-2-3-16(11(9)17)10-7(12)4-6(14)5-8(10)13/h4-5,9,15H,2-3H2,1H3
InChIKeyFXTIYUYMCLXITK-UHFFFAOYSA-N
MW321.58 g/mol
LogP2.57
Rot. Bonds2

About 1-(2-bromo-6-chloro-4-fluorophenyl)-3-(methylamino)pyrrolidin-2-one

1-(2-bromo-6-chloro-4-fluorophenyl)-3-(methylamino)pyrrolidin-2-one (PubChem CID 107613039) has the molecular formula C11H11BrClFN2O and a molecular weight of 321.58 g/mol. Its IUPAC name is 1-(2-bromo-6-chloro-4-fluorophenyl)-3-(methylamino)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2-bromo-6-chloro-4-fluorophenyl)-3-(methylamino)pyrrolidin-2-one
PubChem CID107613039
Molecular FormulaC11H11BrClFN2O
Molecular Weight321.58 g/mol
Exact Mass319.97
IUPAC Name1-(2-bromo-6-chloro-4-fluorophenyl)-3-(methylamino)pyrrolidin-2-one
SMILESCNC1CCN(c2c(Cl)cc(F)cc2Br)C1=O
InChIInChI=1S/C11H11BrClFN2O/c1-15-9-2-3-16(11(9)17)10-7(12)4-6(14)5-8(10)13/h4-5,9,15H,2-3H2,1H3
InChIKeyFXTIYUYMCLXITK-UHFFFAOYSA-N
XLogP2.57
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.58
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-6-chloro-4-fluorophenyl)-3-(methylamino)pyrrolidin-2-one?
The IUPAC name of 1-(2-bromo-6-chloro-4-fluorophenyl)-3-(methylamino)pyrrolidin-2-one (CID 107613039) is 1-(2-bromo-6-chloro-4-fluorophenyl)-3-(methylamino)pyrrolidin-2-one.
What is the SMILES notation for 1-(2-bromo-6-chloro-4-fluorophenyl)-3-(methylamino)pyrrolidin-2-one?
The canonical SMILES for 1-(2-bromo-6-chloro-4-fluorophenyl)-3-(methylamino)pyrrolidin-2-one is CNC1CCN(c2c(Cl)cc(F)cc2Br)C1=O.
What is the InChIKey of 1-(2-bromo-6-chloro-4-fluorophenyl)-3-(methylamino)pyrrolidin-2-one?
The InChIKey is FXTIYUYMCLXITK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrClFN2O/c1-15-9-2-3-16(11(9)17)10-7(12)4-6(14)5-8(10)13/h4-5,9,15H,2-3H2,1H3.
What are the key properties of 1-(2-bromo-6-chloro-4-fluorophenyl)-3-(methylamino)pyrrolidin-2-one?
1-(2-bromo-6-chloro-4-fluorophenyl)-3-(methylamino)pyrrolidin-2-one has a molecular weight of 321.58 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-6-chloro-4-fluorophenyl)-3-(methylamino)pyrrolidin-2-one is sourced from PubChem (CID 107613039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).