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

C11H9BrCl2FNO — CID 168508593

IUPAC1-(2-bromo-6-chloro-4-fluorophenyl)-4-(chloromethyl)pyrrolidin-2-one
SMILESO=C1CC(CCl)CN1c1c(Cl)cc(F)cc1Br
InChIInChI=1S/C11H9BrCl2FNO/c12-8-2-7(15)3-9(14)11(8)16-5-6(4-13)1-10(16)17/h2-3,6H,1,4-5H2
InChIKeyHUVHZLKOKCZPRC-UHFFFAOYSA-N
MW341.01 g/mol
LogP3.83
Rot. Bonds2

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

1-(2-bromo-6-chloro-4-fluorophenyl)-4-(chloromethyl)pyrrolidin-2-one (PubChem CID 168508593) has the molecular formula C11H9BrCl2FNO and a molecular weight of 341.01 g/mol. Its IUPAC name is 1-(2-bromo-6-chloro-4-fluorophenyl)-4-(chloromethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2-bromo-6-chloro-4-fluorophenyl)-4-(chloromethyl)pyrrolidin-2-one
PubChem CID168508593
Molecular FormulaC11H9BrCl2FNO
Molecular Weight341.01 g/mol
Exact Mass338.92
IUPAC Name1-(2-bromo-6-chloro-4-fluorophenyl)-4-(chloromethyl)pyrrolidin-2-one
SMILESO=C1CC(CCl)CN1c1c(Cl)cc(F)cc1Br
InChIInChI=1S/C11H9BrCl2FNO/c12-8-2-7(15)3-9(14)11(8)16-5-6(4-13)1-10(16)17/h2-3,6H,1,4-5H2
InChIKeyHUVHZLKOKCZPRC-UHFFFAOYSA-N
XLogP3.83
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.01
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(4-bromo-2-chlorophenyl)-N-methyl-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 56047628
N-(4-bromo-2-chlorophenyl)-1-(2-fluorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 56049052
3-Bromo-1-(2,6-dichloro-4-fluorophenyl)pyrrolidin-2-one
CID 83081677
3-Bromo-1-(2-chloro-4,6-difluorophenyl)pyrrolidin-2-one
CID 83087363
1-(2-Bromo-6-chloro-4-fluorophenyl)pyrrolidine
CID 84714851
N-(2-bromo-6-chloro-4-fluorophenyl)-2-methylbutanamide
CID 103867699
N-(2-bromo-6-chloro-4-fluorophenyl)cyclopropanecarboxamide
CID 103867702
N-(2-bromo-6-chloro-4-fluorophenyl)cyclobutanecarboxamide
CID 103867767
N-(2-bromo-6-chloro-4-fluorophenyl)-4-methylpentanamide
CID 103867779
N-(2-bromo-6-chloro-4-fluorophenyl)-3-methylbutanamide
CID 103867823
N-(2-bromo-6-chloro-4-fluorophenyl)-2-methylpentanamide
CID 103878547
2-(2-Bromo-6-chloro-4-fluoroanilino)-1-pyrrolidin-1-ylethanone
CID 104878314

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-6-chloro-4-fluorophenyl)-4-(chloromethyl)pyrrolidin-2-one?
The IUPAC name of 1-(2-bromo-6-chloro-4-fluorophenyl)-4-(chloromethyl)pyrrolidin-2-one (CID 168508593) is 1-(2-bromo-6-chloro-4-fluorophenyl)-4-(chloromethyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(2-bromo-6-chloro-4-fluorophenyl)-4-(chloromethyl)pyrrolidin-2-one?
The canonical SMILES for 1-(2-bromo-6-chloro-4-fluorophenyl)-4-(chloromethyl)pyrrolidin-2-one is O=C1CC(CCl)CN1c1c(Cl)cc(F)cc1Br.
What is the InChIKey of 1-(2-bromo-6-chloro-4-fluorophenyl)-4-(chloromethyl)pyrrolidin-2-one?
The InChIKey is HUVHZLKOKCZPRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrCl2FNO/c12-8-2-7(15)3-9(14)11(8)16-5-6(4-13)1-10(16)17/h2-3,6H,1,4-5H2.
What are the key properties of 1-(2-bromo-6-chloro-4-fluorophenyl)-4-(chloromethyl)pyrrolidin-2-one?
1-(2-bromo-6-chloro-4-fluorophenyl)-4-(chloromethyl)pyrrolidin-2-one has a molecular weight of 341.01 g/mol, XLogP of 3.83, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-6-chloro-4-fluorophenyl)-4-(chloromethyl)pyrrolidin-2-one is sourced from PubChem (CID 168508593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).