1-(2-fluorophenyl)-5-oxo-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylpyrrolidine-3-carboxamide

C22H21F4N3O3 — CID 46554924

IUPAC1-(2-fluorophenyl)-5-oxo-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylpyrrolidine-3-carboxamide
SMILESCCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)C1CC(=O)N(c2ccccc2F)C1
InChIInChI=1S/C22H21F4N3O3/c1-2-9-28(12-18(30)27-16-8-7-15(24)20(25)21(16)26)22(32)13-10-19(31)29(11-13)17-6-4-3-5-14(17)23/h3-8,13H,2,9-12H2,1H3,(H,27,30)
InChIKeyNWSYLLXFDSMYFN-UHFFFAOYSA-N
MW451.42 g/mol
LogP3.47
Rot. Bonds7

About 1-(2-fluorophenyl)-5-oxo-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylpyrrolidine-3-carboxamide

1-(2-fluorophenyl)-5-oxo-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylpyrrolidine-3-carboxamide (PubChem CID 46554924) has the molecular formula C22H21F4N3O3 and a molecular weight of 451.42 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-5-oxo-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-5-oxo-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylpyrrolidine-3-carboxamide
PubChem CID46554924
Molecular FormulaC22H21F4N3O3
Molecular Weight451.42 g/mol
Exact Mass451.15
IUPAC Name1-(2-fluorophenyl)-5-oxo-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylpyrrolidine-3-carboxamide
SMILESCCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)C1CC(=O)N(c2ccccc2F)C1
InChIInChI=1S/C22H21F4N3O3/c1-2-9-28(12-18(30)27-16-8-7-15(24)20(25)21(16)26)22(32)13-10-19(31)29(11-13)17-6-4-3-5-14(17)23/h3-8,13H,2,9-12H2,1H3,(H,27,30)
InChIKeyNWSYLLXFDSMYFN-UHFFFAOYSA-N
XLogP3.47
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.42
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[1-(2-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]-propylamino]acetic acid
CID 119205463
1-(2-fluorophenyl)-5-oxo-N-(2,3,4-trifluorophenyl)pyrrolidine-3-carboxamide
CID 51176548
1-(2,3-dimethylphenyl)-N-[2-(2-methoxyanilino)-2-oxoethyl]-5-oxo-N-propylpyrrolidine-3-carboxamide
CID 55330530
(3S)-N-[2-(4-chloroanilino)-2-oxoethyl]-1-(2-fluorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 8617656
(3S)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-1-(2-fluorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 8620724
N-[(4-cyanophenyl)methyl]-1-(2-fluorophenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide
CID 55594138
1-(2-fluorophenyl)-N,N-bis(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 18886103
N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylpyrrolidine-3-carboxamide
CID 119682443
(3R)-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-1-(2-fluorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 8637851
N-[2-(2-methoxyanilino)-2-oxoethyl]-1-(2-methoxy-5-methylphenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide
CID 55330592
1-methylsulfonyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylpiperidine-3-carboxamide
CID 55556172
3-[[1-(2-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]-(2-methylpropyl)amino]propanoic acid
CID 119190608

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-5-oxo-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylpyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)-5-oxo-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylpyrrolidine-3-carboxamide (CID 46554924) is 1-(2-fluorophenyl)-5-oxo-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)-5-oxo-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)-5-oxo-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylpyrrolidine-3-carboxamide is CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)C1CC(=O)N(c2ccccc2F)C1.
What is the InChIKey of 1-(2-fluorophenyl)-5-oxo-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylpyrrolidine-3-carboxamide?
The InChIKey is NWSYLLXFDSMYFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F4N3O3/c1-2-9-28(12-18(30)27-16-8-7-15(24)20(25)21(16)26)22(32)13-10-19(31)29(11-13)17-6-4-3-5-14(17)23/h3-8,13H,2,9-12H2,1H3,(H,27,30).
What are the key properties of 1-(2-fluorophenyl)-5-oxo-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylpyrrolidine-3-carboxamide?
1-(2-fluorophenyl)-5-oxo-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylpyrrolidine-3-carboxamide has a molecular weight of 451.42 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-5-oxo-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylpyrrolidine-3-carboxamide is sourced from PubChem (CID 46554924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).