1-(3,4-dichlorophenyl)-2-oxo-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrrolidine-3-carboxamide

C17H16Cl2F3N3O3 — CID 86938913

IUPAC1-(3,4-dichlorophenyl)-2-oxo-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrrolidine-3-carboxamide
SMILESO=C(NC1CCN(CC(F)(F)F)C1=O)C1CCN(c2ccc(Cl)c(Cl)c2)C1=O
InChIInChI=1S/C17H16Cl2F3N3O3/c18-11-2-1-9(7-12(11)19)25-6-3-10(15(25)27)14(26)23-13-4-5-24(16(13)28)8-17(20,21)22/h1-2,7,10,13H,3-6,8H2,(H,23,26)
InChIKeyUOBOTOYSTSULAL-UHFFFAOYSA-N
MW438.23 g/mol
LogP2.63
Rot. Bonds4

About 1-(3,4-dichlorophenyl)-2-oxo-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrrolidine-3-carboxamide

1-(3,4-dichlorophenyl)-2-oxo-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrrolidine-3-carboxamide (PubChem CID 86938913) has the molecular formula C17H16Cl2F3N3O3 and a molecular weight of 438.23 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-2-oxo-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-2-oxo-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrrolidine-3-carboxamide
PubChem CID86938913
Molecular FormulaC17H16Cl2F3N3O3
Molecular Weight438.23 g/mol
Exact Mass437.05
IUPAC Name1-(3,4-dichlorophenyl)-2-oxo-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrrolidine-3-carboxamide
SMILESO=C(NC1CCN(CC(F)(F)F)C1=O)C1CCN(c2ccc(Cl)c(Cl)c2)C1=O
InChIInChI=1S/C17H16Cl2F3N3O3/c18-11-2-1-9(7-12(11)19)25-6-3-10(15(25)27)14(26)23-13-4-5-24(16(13)28)8-17(20,21)22/h1-2,7,10,13H,3-6,8H2,(H,23,26)
InChIKeyUOBOTOYSTSULAL-UHFFFAOYSA-N
XLogP2.63
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.23
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-(3,4-dichlorophenyl)-2-oxo-N-piperidin-4-ylpyrrolidine-3-carboxamide
CID 119386103
1-(3,4-dichlorophenyl)-N-(2-hydroxyethyl)-2-oxopyrrolidine-3-carboxamide
CID 110902862
N-[1-(3,4-dichlorophenyl)-2-oxopyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 75448375
3-[4-chloro-3-(trifluoromethyl)phenyl]-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]prop-2-enamide
CID 126797860
(E)-3-[4-chloro-3-(trifluoromethyl)phenyl]-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]prop-2-enamide
CID 102556973
N-(2-butoxyethyl)-1-(3,4-dichlorophenyl)-2-oxopyrrolidine-3-carboxamide
CID 86853322
1-(3,4-dichlorophenyl)-3-(methylamino)pyrrolidin-2-one
CID 54353900
3-[2-chloro-5-(hydroxymethyl)anilino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 111336445
N-[(3R)-1-(3,4-dichlorophenyl)-2-oxopyrrolidin-3-yl]-1H-pyrrole-3-carboxamide
CID 97340463
2-[2-[[1-(4-chloro-3-fluorophenyl)-2-oxopyrrolidin-3-yl]amino]-2-oxoethyl]sulfanylacetic acid
CID 120551490
4-[[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]carbamoyl]pyridine-2-carboxylic acid
CID 119185103
N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrrolidine-2-carboxamide
CID 119324335

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-2-oxo-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-(3,4-dichlorophenyl)-2-oxo-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrrolidine-3-carboxamide (CID 86938913) is 1-(3,4-dichlorophenyl)-2-oxo-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-2-oxo-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3,4-dichlorophenyl)-2-oxo-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrrolidine-3-carboxamide is O=C(NC1CCN(CC(F)(F)F)C1=O)C1CCN(c2ccc(Cl)c(Cl)c2)C1=O.
What is the InChIKey of 1-(3,4-dichlorophenyl)-2-oxo-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrrolidine-3-carboxamide?
The InChIKey is UOBOTOYSTSULAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2F3N3O3/c18-11-2-1-9(7-12(11)19)25-6-3-10(15(25)27)14(26)23-13-4-5-24(16(13)28)8-17(20,21)22/h1-2,7,10,13H,3-6,8H2,(H,23,26).
What are the key properties of 1-(3,4-dichlorophenyl)-2-oxo-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrrolidine-3-carboxamide?
1-(3,4-dichlorophenyl)-2-oxo-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrrolidine-3-carboxamide has a molecular weight of 438.23 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-2-oxo-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 86938913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).