4-(chloromethyl)-1-(2,6-dichloro-4-fluorophenyl)pyrrolidin-2-one

C11H9Cl3FNO — CID 168508594

IUPAC4-(chloromethyl)-1-(2,6-dichloro-4-fluorophenyl)pyrrolidin-2-one
SMILESO=C1CC(CCl)CN1c1c(Cl)cc(F)cc1Cl
InChIInChI=1S/C11H9Cl3FNO/c12-4-6-1-10(17)16(5-6)11-8(13)2-7(15)3-9(11)14/h2-3,6H,1,4-5H2
InChIKeyLITLYCGYHSARMK-UHFFFAOYSA-N
MW296.56 g/mol
LogP3.72
Rot. Bonds2

About 4-(chloromethyl)-1-(2,6-dichloro-4-fluorophenyl)pyrrolidin-2-one

4-(chloromethyl)-1-(2,6-dichloro-4-fluorophenyl)pyrrolidin-2-one (PubChem CID 168508594) has the molecular formula C11H9Cl3FNO and a molecular weight of 296.56 g/mol. Its IUPAC name is 4-(chloromethyl)-1-(2,6-dichloro-4-fluorophenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(chloromethyl)-1-(2,6-dichloro-4-fluorophenyl)pyrrolidin-2-one
PubChem CID168508594
Molecular FormulaC11H9Cl3FNO
Molecular Weight296.56 g/mol
Exact Mass294.97
IUPAC Name4-(chloromethyl)-1-(2,6-dichloro-4-fluorophenyl)pyrrolidin-2-one
SMILESO=C1CC(CCl)CN1c1c(Cl)cc(F)cc1Cl
InChIInChI=1S/C11H9Cl3FNO/c12-4-6-1-10(17)16(5-6)11-8(13)2-7(15)3-9(11)14/h2-3,6H,1,4-5H2
InChIKeyLITLYCGYHSARMK-UHFFFAOYSA-N
XLogP3.72
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.56
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-(chloromethyl)-1-(2,6-dichloro-4-fluorophenyl)pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-bromo-6-chloro-4-fluorophenyl)-4-(chloromethyl)pyrrolidin-2-one
CID 168508593
[1-(2,6-dichloro-4-fluorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168673891
3,5-dichloro-4-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]benzonitrile
CID 168508590
1-(2-amino-6-bromo-4-fluorophenyl)-4-(chloromethyl)pyrrolidin-2-one
CID 168509368
1-(2-amino-3,5-difluorophenyl)-4-(chloromethyl)pyrrolidin-2-one
CID 168509375
[1-(2-bromo-6-chloro-4-fluorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168673890
1-(2-bromo-4-fluorophenyl)-4-(chloromethyl)pyrrolidin-2-one
CID 168509018
4-(chloromethyl)-1-(3,4-dichlorophenyl)pyrrolidin-2-one
CID 168508820
1-(2-chloro-3-fluorophenyl)-4-(chloromethyl)pyrrolidin-2-one
CID 168509484
4-(chloromethyl)-1-(5-fluoro-2-methoxyphenyl)pyrrolidin-2-one
CID 168507511
1-(2-chloro-4,6-difluorophenyl)-4-hydroxypyrrolidin-2-one
CID 83087452
4-(chloromethyl)-1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-2-one
CID 168509279

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-1-(2,6-dichloro-4-fluorophenyl)pyrrolidin-2-one?
The IUPAC name of 4-(chloromethyl)-1-(2,6-dichloro-4-fluorophenyl)pyrrolidin-2-one (CID 168508594) is 4-(chloromethyl)-1-(2,6-dichloro-4-fluorophenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(chloromethyl)-1-(2,6-dichloro-4-fluorophenyl)pyrrolidin-2-one?
The canonical SMILES for 4-(chloromethyl)-1-(2,6-dichloro-4-fluorophenyl)pyrrolidin-2-one is O=C1CC(CCl)CN1c1c(Cl)cc(F)cc1Cl.
What is the InChIKey of 4-(chloromethyl)-1-(2,6-dichloro-4-fluorophenyl)pyrrolidin-2-one?
The InChIKey is LITLYCGYHSARMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl3FNO/c12-4-6-1-10(17)16(5-6)11-8(13)2-7(15)3-9(11)14/h2-3,6H,1,4-5H2.
What are the key properties of 4-(chloromethyl)-1-(2,6-dichloro-4-fluorophenyl)pyrrolidin-2-one?
4-(chloromethyl)-1-(2,6-dichloro-4-fluorophenyl)pyrrolidin-2-one has a molecular weight of 296.56 g/mol, XLogP of 3.72, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-1-(2,6-dichloro-4-fluorophenyl)pyrrolidin-2-one is sourced from PubChem (CID 168508594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).