1-(2-chlorophenyl)-3-[methyl-(2,3,5,6-tetrafluoro-4-pyridinyl)amino]pyrrolidin-2-one

C16H12ClF4N3O — CID 133372602

IUPAC1-(2-chlorophenyl)-3-[methyl-(2,3,5,6-tetrafluoro-4-pyridinyl)amino]pyrrolidin-2-one
SMILESCN(c1c(F)c(F)nc(F)c1F)C1CCN(c2ccccc2Cl)C1=O
InChIInChI=1S/C16H12ClF4N3O/c1-23(13-11(18)14(20)22-15(21)12(13)19)10-6-7-24(16(10)25)9-5-3-2-4-8(9)17/h2-5,10H,6-7H2,1H3
InChIKeyUJADTKZVYHJNRP-UHFFFAOYSA-N
MW373.74 g/mol
LogP3.53
Rot. Bonds3

About 1-(2-chlorophenyl)-3-[methyl-(2,3,5,6-tetrafluoro-4-pyridinyl)amino]pyrrolidin-2-one

1-(2-chlorophenyl)-3-[methyl-(2,3,5,6-tetrafluoro-4-pyridinyl)amino]pyrrolidin-2-one (PubChem CID 133372602) has the molecular formula C16H12ClF4N3O and a molecular weight of 373.74 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-[methyl-(2,3,5,6-tetrafluoro-4-pyridinyl)amino]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-[methyl-(2,3,5,6-tetrafluoro-4-pyridinyl)amino]pyrrolidin-2-one
PubChem CID133372602
Molecular FormulaC16H12ClF4N3O
Molecular Weight373.74 g/mol
Exact Mass373.06
IUPAC Name1-(2-chlorophenyl)-3-[methyl-(2,3,5,6-tetrafluoro-4-pyridinyl)amino]pyrrolidin-2-one
SMILESCN(c1c(F)c(F)nc(F)c1F)C1CCN(c2ccccc2Cl)C1=O
InChIInChI=1S/C16H12ClF4N3O/c1-23(13-11(18)14(20)22-15(21)12(13)19)10-6-7-24(16(10)25)9-5-3-2-4-8(9)17/h2-5,10H,6-7H2,1H3
InChIKeyUJADTKZVYHJNRP-UHFFFAOYSA-N
XLogP3.53
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.74
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-[methyl-(2,3,5,6-tetrafluoro-4-pyridinyl)amino]pyrrolidin-2-one?
The IUPAC name of 1-(2-chlorophenyl)-3-[methyl-(2,3,5,6-tetrafluoro-4-pyridinyl)amino]pyrrolidin-2-one (CID 133372602) is 1-(2-chlorophenyl)-3-[methyl-(2,3,5,6-tetrafluoro-4-pyridinyl)amino]pyrrolidin-2-one.
What is the SMILES notation for 1-(2-chlorophenyl)-3-[methyl-(2,3,5,6-tetrafluoro-4-pyridinyl)amino]pyrrolidin-2-one?
The canonical SMILES for 1-(2-chlorophenyl)-3-[methyl-(2,3,5,6-tetrafluoro-4-pyridinyl)amino]pyrrolidin-2-one is CN(c1c(F)c(F)nc(F)c1F)C1CCN(c2ccccc2Cl)C1=O.
What is the InChIKey of 1-(2-chlorophenyl)-3-[methyl-(2,3,5,6-tetrafluoro-4-pyridinyl)amino]pyrrolidin-2-one?
The InChIKey is UJADTKZVYHJNRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClF4N3O/c1-23(13-11(18)14(20)22-15(21)12(13)19)10-6-7-24(16(10)25)9-5-3-2-4-8(9)17/h2-5,10H,6-7H2,1H3.
What are the key properties of 1-(2-chlorophenyl)-3-[methyl-(2,3,5,6-tetrafluoro-4-pyridinyl)amino]pyrrolidin-2-one?
1-(2-chlorophenyl)-3-[methyl-(2,3,5,6-tetrafluoro-4-pyridinyl)amino]pyrrolidin-2-one has a molecular weight of 373.74 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-[methyl-(2,3,5,6-tetrafluoro-4-pyridinyl)amino]pyrrolidin-2-one is sourced from PubChem (CID 133372602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).