N-(2,5-diethoxyphenyl)-1-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide

C21H22F2N2O4 — CID 46404018

IUPACN-(2,5-diethoxyphenyl)-1-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCOc1ccc(OCC)c(NC(=O)C2CC(=O)N(c3ccc(F)cc3F)C2)c1
InChIInChI=1S/C21H22F2N2O4/c1-3-28-15-6-8-19(29-4-2)17(11-15)24-21(27)13-9-20(26)25(12-13)18-7-5-14(22)10-16(18)23/h5-8,10-11,13H,3-4,9,12H2,1-2H3,(H,24,27)
InChIKeyPOINCJRMBIJFIW-UHFFFAOYSA-N
MW404.41 g/mol
LogP3.75
Rot. Bonds7

About N-(2,5-diethoxyphenyl)-1-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide

N-(2,5-diethoxyphenyl)-1-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 46404018) has the molecular formula C21H22F2N2O4 and a molecular weight of 404.41 g/mol. Its IUPAC name is N-(2,5-diethoxyphenyl)-1-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,5-diethoxyphenyl)-1-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID46404018
Molecular FormulaC21H22F2N2O4
Molecular Weight404.41 g/mol
Exact Mass404.15
IUPAC NameN-(2,5-diethoxyphenyl)-1-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCOc1ccc(OCC)c(NC(=O)C2CC(=O)N(c3ccc(F)cc3F)C2)c1
InChIInChI=1S/C21H22F2N2O4/c1-3-28-15-6-8-19(29-4-2)17(11-15)24-21(27)13-9-20(26)25(12-13)18-7-5-14(22)10-16(18)23/h5-8,10-11,13H,3-4,9,12H2,1-2H3,(H,24,27)
InChIKeyPOINCJRMBIJFIW-UHFFFAOYSA-N
XLogP3.75
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.41
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-difluorophenyl)-N-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55618657
(3R)-N-(2,5-difluorophenyl)-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 40942309
N-(2,5-diethoxyphenyl)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46557865
1-(2,4-difluorophenyl)-5-oxo-N-[2-(2-phenylethoxy)phenyl]pyrrolidine-3-carboxamide
CID 55675244
1-(2,4-difluorophenyl)-5-oxo-N-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 113190668
ethyl 4-[[1-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 46422511
N-(2,5-difluorophenyl)-1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 51158561
N-(2-acetylphenyl)-1-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 42957217
ethyl 1-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxylate
CID 50874002
1-(2,5-diethoxyphenyl)-3-(2,4-difluorophenyl)urea
CID 46859658
(3R)-1-(2-chlorophenyl)-N-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9056440
1-(2-ethoxyphenyl)-5-oxo-N-(2-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 24980846

Frequently Asked Questions

What is the IUPAC name of N-(2,5-diethoxyphenyl)-1-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(2,5-diethoxyphenyl)-1-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide (CID 46404018) is N-(2,5-diethoxyphenyl)-1-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2,5-diethoxyphenyl)-1-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(2,5-diethoxyphenyl)-1-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide is CCOc1ccc(OCC)c(NC(=O)C2CC(=O)N(c3ccc(F)cc3F)C2)c1.
What is the InChIKey of N-(2,5-diethoxyphenyl)-1-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is POINCJRMBIJFIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F2N2O4/c1-3-28-15-6-8-19(29-4-2)17(11-15)24-21(27)13-9-20(26)25(12-13)18-7-5-14(22)10-16(18)23/h5-8,10-11,13H,3-4,9,12H2,1-2H3,(H,24,27).
What are the key properties of N-(2,5-diethoxyphenyl)-1-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide?
N-(2,5-diethoxyphenyl)-1-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 404.41 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-diethoxyphenyl)-1-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 46404018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).