N-(2,6-diethylphenyl)-5-oxo-1-(2,3,4-trifluorophenyl)pyrrolidine-3-carboxamide

C21H21F3N2O2 — CID 113192156

IUPACN-(2,6-diethylphenyl)-5-oxo-1-(2,3,4-trifluorophenyl)pyrrolidine-3-carboxamide
SMILESCCc1cccc(CC)c1NC(=O)C1CC(=O)N(c2ccc(F)c(F)c2F)C1
InChIInChI=1S/C21H21F3N2O2/c1-3-12-6-5-7-13(4-2)20(12)25-21(28)14-10-17(27)26(11-14)16-9-8-15(22)18(23)19(16)24/h5-9,14H,3-4,10-11H2,1-2H3,(H,25,28)
InChIKeyZRKQZOARFMQSGC-UHFFFAOYSA-N
MW390.41 g/mol
LogP4.22
Rot. Bonds5

About N-(2,6-diethylphenyl)-5-oxo-1-(2,3,4-trifluorophenyl)pyrrolidine-3-carboxamide

N-(2,6-diethylphenyl)-5-oxo-1-(2,3,4-trifluorophenyl)pyrrolidine-3-carboxamide (PubChem CID 113192156) has the molecular formula C21H21F3N2O2 and a molecular weight of 390.41 g/mol. Its IUPAC name is N-(2,6-diethylphenyl)-5-oxo-1-(2,3,4-trifluorophenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,6-diethylphenyl)-5-oxo-1-(2,3,4-trifluorophenyl)pyrrolidine-3-carboxamide
PubChem CID113192156
Molecular FormulaC21H21F3N2O2
Molecular Weight390.41 g/mol
Exact Mass390.16
IUPAC NameN-(2,6-diethylphenyl)-5-oxo-1-(2,3,4-trifluorophenyl)pyrrolidine-3-carboxamide
SMILESCCc1cccc(CC)c1NC(=O)C1CC(=O)N(c2ccc(F)c(F)c2F)C1
InChIInChI=1S/C21H21F3N2O2/c1-3-12-6-5-7-13(4-2)20(12)25-21(28)14-10-17(27)26(11-14)16-9-8-15(22)18(23)19(16)24/h5-9,14H,3-4,10-11H2,1-2H3,(H,25,28)
InChIKeyZRKQZOARFMQSGC-UHFFFAOYSA-N
XLogP4.22
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.41
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2,6-diethylphenyl)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113186319
(3R)-1-(5-chloro-2-methoxyphenyl)-N-(2,6-diethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9004503
methyl 4-[[5-oxo-1-(2,3,4-trifluorophenyl)pyrrolidine-3-carbonyl]amino]benzoate
CID 113192190
methyl 4-[4-[(2,6-diethylphenyl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate
CID 113189461
N-(2-ethyl-6-methylphenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 2925283
N-(2,6-diethylphenyl)-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 113186701
N-(3-chloro-4-fluorophenyl)-5-oxo-1-(2,3,4-trifluorophenyl)pyrrolidine-3-carboxamide
CID 113192169
N-(2-ethyl-6-methylphenyl)-5-oxo-1-[2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 113188588
(3S)-N-(2-ethyl-6-methylphenyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7900199
1-(2,6-diethylphenyl)-N-(3,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 113186941
N-(4-bromo-2-fluorophenyl)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17120342
1-(2-ethylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 51148262

Frequently Asked Questions

What is the IUPAC name of N-(2,6-diethylphenyl)-5-oxo-1-(2,3,4-trifluorophenyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(2,6-diethylphenyl)-5-oxo-1-(2,3,4-trifluorophenyl)pyrrolidine-3-carboxamide (CID 113192156) is N-(2,6-diethylphenyl)-5-oxo-1-(2,3,4-trifluorophenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2,6-diethylphenyl)-5-oxo-1-(2,3,4-trifluorophenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(2,6-diethylphenyl)-5-oxo-1-(2,3,4-trifluorophenyl)pyrrolidine-3-carboxamide is CCc1cccc(CC)c1NC(=O)C1CC(=O)N(c2ccc(F)c(F)c2F)C1.
What is the InChIKey of N-(2,6-diethylphenyl)-5-oxo-1-(2,3,4-trifluorophenyl)pyrrolidine-3-carboxamide?
The InChIKey is ZRKQZOARFMQSGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N2O2/c1-3-12-6-5-7-13(4-2)20(12)25-21(28)14-10-17(27)26(11-14)16-9-8-15(22)18(23)19(16)24/h5-9,14H,3-4,10-11H2,1-2H3,(H,25,28).
What are the key properties of N-(2,6-diethylphenyl)-5-oxo-1-(2,3,4-trifluorophenyl)pyrrolidine-3-carboxamide?
N-(2,6-diethylphenyl)-5-oxo-1-(2,3,4-trifluorophenyl)pyrrolidine-3-carboxamide has a molecular weight of 390.41 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-diethylphenyl)-5-oxo-1-(2,3,4-trifluorophenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 113192156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).