4-chloro-1-(3,5-dichloro-2,4-difluorophenyl)pyrrolidin-2-one

C10H6Cl3F2NO — CID 168689041

IUPAC4-chloro-1-(3,5-dichloro-2,4-difluorophenyl)pyrrolidin-2-one
SMILESO=C1CC(Cl)CN1c1cc(Cl)c(F)c(Cl)c1F
InChIInChI=1S/C10H6Cl3F2NO/c11-4-1-7(17)16(3-4)6-2-5(12)9(14)8(13)10(6)15/h2,4H,1,3H2
InChIKeyMTKQSHYJRDMZCX-UHFFFAOYSA-N
MW300.52 g/mol
LogP3.62
Rot. Bonds1

About 4-chloro-1-(3,5-dichloro-2,4-difluorophenyl)pyrrolidin-2-one

4-chloro-1-(3,5-dichloro-2,4-difluorophenyl)pyrrolidin-2-one (PubChem CID 168689041) has the molecular formula C10H6Cl3F2NO and a molecular weight of 300.52 g/mol. Its IUPAC name is 4-chloro-1-(3,5-dichloro-2,4-difluorophenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-chloro-1-(3,5-dichloro-2,4-difluorophenyl)pyrrolidin-2-one
PubChem CID168689041
Molecular FormulaC10H6Cl3F2NO
Molecular Weight300.52 g/mol
Exact Mass298.95
IUPAC Name4-chloro-1-(3,5-dichloro-2,4-difluorophenyl)pyrrolidin-2-one
SMILESO=C1CC(Cl)CN1c1cc(Cl)c(F)c(Cl)c1F
InChIInChI=1S/C10H6Cl3F2NO/c11-4-1-7(17)16(3-4)6-2-5(12)9(14)8(13)10(6)15/h2,4H,1,3H2
InChIKeyMTKQSHYJRDMZCX-UHFFFAOYSA-N
XLogP3.62
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.52
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-(3,5-dichloro-2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 168697676
1-(2-amino-4,5-dichlorophenyl)-4-chloropyrrolidin-2-one
CID 168688969
4-chloro-1-(2-chloro-4-fluoro-5-methylphenyl)pyrrolidin-2-one
CID 168687983
4-chloro-1-(2,4-difluorophenyl)pyrrolidin-2-one
CID 168689348
4-chloro-1-(3,5-dichloro-2,6-difluoro-4-pyridinyl)pyrrolidin-2-one
CID 168688905
methyl 5-bromo-3-(4-chloro-2-oxopyrrolidin-1-yl)-2-fluorobenzoate
CID 168687711
4-chloro-1-(3,6-dichloropyridazin-4-yl)pyrrolidin-2-one
CID 168689693
4-chloro-1-[3-chloro-2-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 168689796
1-(3-chloro-2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168691584
4-chloro-1-(2,4-dichloropyrimidin-5-yl)pyrrolidin-2-one
CID 168689444
4-chloro-1-(2-chloro-5-nitrophenyl)pyrrolidin-2-one
CID 168689091
1-(3-chloro-2,4-difluorophenyl)-4-hydroxypyrrolidin-2-one
CID 168703206

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(3,5-dichloro-2,4-difluorophenyl)pyrrolidin-2-one?
The IUPAC name of 4-chloro-1-(3,5-dichloro-2,4-difluorophenyl)pyrrolidin-2-one (CID 168689041) is 4-chloro-1-(3,5-dichloro-2,4-difluorophenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-chloro-1-(3,5-dichloro-2,4-difluorophenyl)pyrrolidin-2-one?
The canonical SMILES for 4-chloro-1-(3,5-dichloro-2,4-difluorophenyl)pyrrolidin-2-one is O=C1CC(Cl)CN1c1cc(Cl)c(F)c(Cl)c1F.
What is the InChIKey of 4-chloro-1-(3,5-dichloro-2,4-difluorophenyl)pyrrolidin-2-one?
The InChIKey is MTKQSHYJRDMZCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl3F2NO/c11-4-1-7(17)16(3-4)6-2-5(12)9(14)8(13)10(6)15/h2,4H,1,3H2.
What are the key properties of 4-chloro-1-(3,5-dichloro-2,4-difluorophenyl)pyrrolidin-2-one?
4-chloro-1-(3,5-dichloro-2,4-difluorophenyl)pyrrolidin-2-one has a molecular weight of 300.52 g/mol, XLogP of 3.62, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(3,5-dichloro-2,4-difluorophenyl)pyrrolidin-2-one is sourced from PubChem (CID 168689041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).