1-(3,4-dichlorophenyl)-3-[[6-(trifluoromethyl)pyridazin-3-yl]amino]pyrrolidin-2-one

C15H11Cl2F3N4O — CID 133438994

IUPAC1-(3,4-dichlorophenyl)-3-[[6-(trifluoromethyl)pyridazin-3-yl]amino]pyrrolidin-2-one
SMILESO=C1C(Nc2ccc(C(F)(F)F)nn2)CCN1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H11Cl2F3N4O/c16-9-2-1-8(7-10(9)17)24-6-5-11(14(24)25)21-13-4-3-12(22-23-13)15(18,19)20/h1-4,7,11H,5-6H2,(H,21,23)
InChIKeyWTAOJZKSWCONNK-UHFFFAOYSA-N
MW391.18 g/mol
LogP4.02
Rot. Bonds3

About 1-(3,4-dichlorophenyl)-3-[[6-(trifluoromethyl)pyridazin-3-yl]amino]pyrrolidin-2-one

1-(3,4-dichlorophenyl)-3-[[6-(trifluoromethyl)pyridazin-3-yl]amino]pyrrolidin-2-one (PubChem CID 133438994) has the molecular formula C15H11Cl2F3N4O and a molecular weight of 391.18 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-3-[[6-(trifluoromethyl)pyridazin-3-yl]amino]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-3-[[6-(trifluoromethyl)pyridazin-3-yl]amino]pyrrolidin-2-one
PubChem CID133438994
Molecular FormulaC15H11Cl2F3N4O
Molecular Weight391.18 g/mol
Exact Mass390.03
IUPAC Name1-(3,4-dichlorophenyl)-3-[[6-(trifluoromethyl)pyridazin-3-yl]amino]pyrrolidin-2-one
SMILESO=C1C(Nc2ccc(C(F)(F)F)nn2)CCN1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H11Cl2F3N4O/c16-9-2-1-8(7-10(9)17)24-6-5-11(14(24)25)21-13-4-3-12(22-23-13)15(18,19)20/h1-4,7,11H,5-6H2,(H,21,23)
InChIKeyWTAOJZKSWCONNK-UHFFFAOYSA-N
XLogP4.02
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.18
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methoxyphenyl)-3-[[6-(trifluoromethyl)pyridazin-3-yl]amino]pyrrolidin-2-one
CID 133419749
1-(3,4-dichlorophenyl)-3-(methylamino)pyrrolidin-2-one
CID 54353900
6-[[1-(3,4-dichlorophenyl)-2-oxopyrrolidin-3-yl]amino]pyridine-3-carbonitrile
CID 133439006
1-(3,4-dichlorophenyl)-3-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]pyrrolidin-2-one
CID 133439004
1-(3-phenylpropyl)-3-[[6-(trifluoromethyl)pyridazin-3-yl]amino]pyrrolidin-2-one
CID 133418807
1-(3,4-dichlorophenyl)-3-(3-methylsulfonyl-4-nitroanilino)pyrrolidin-2-one
CID 133439012
1-(4-chloro-3-fluorophenyl)-3-[(6-ethyl-2-methylpyrimidin-4-yl)amino]pyrrolidin-2-one
CID 133462212
1-(3,4-dichlorophenyl)-3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-2-one
CID 133439003
4-[[1-(3,4-dichlorophenyl)-2-oxopyrrolidin-3-yl]amino]-N-methyl-3-nitrobenzamide
CID 133439015
1-(3-chlorophenyl)-3-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]pyrrolidin-2-one
CID 133338513
1-(3,4-dichlorophenyl)-2-oxo-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrrolidine-3-carboxamide
CID 86938913
N-[(3R)-1-(3,4-dichlorophenyl)-2-oxopyrrolidin-3-yl]-1H-pyrrole-3-carboxamide
CID 97340463

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-3-[[6-(trifluoromethyl)pyridazin-3-yl]amino]pyrrolidin-2-one?
The IUPAC name of 1-(3,4-dichlorophenyl)-3-[[6-(trifluoromethyl)pyridazin-3-yl]amino]pyrrolidin-2-one (CID 133438994) is 1-(3,4-dichlorophenyl)-3-[[6-(trifluoromethyl)pyridazin-3-yl]amino]pyrrolidin-2-one.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-3-[[6-(trifluoromethyl)pyridazin-3-yl]amino]pyrrolidin-2-one?
The canonical SMILES for 1-(3,4-dichlorophenyl)-3-[[6-(trifluoromethyl)pyridazin-3-yl]amino]pyrrolidin-2-one is O=C1C(Nc2ccc(C(F)(F)F)nn2)CCN1c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-3-[[6-(trifluoromethyl)pyridazin-3-yl]amino]pyrrolidin-2-one?
The InChIKey is WTAOJZKSWCONNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2F3N4O/c16-9-2-1-8(7-10(9)17)24-6-5-11(14(24)25)21-13-4-3-12(22-23-13)15(18,19)20/h1-4,7,11H,5-6H2,(H,21,23).
What are the key properties of 1-(3,4-dichlorophenyl)-3-[[6-(trifluoromethyl)pyridazin-3-yl]amino]pyrrolidin-2-one?
1-(3,4-dichlorophenyl)-3-[[6-(trifluoromethyl)pyridazin-3-yl]amino]pyrrolidin-2-one has a molecular weight of 391.18 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-3-[[6-(trifluoromethyl)pyridazin-3-yl]amino]pyrrolidin-2-one is sourced from PubChem (CID 133438994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).