N-(2-ethylphenyl)-5-oxo-1-(3-oxo-1H-2-benzofuran-1-yl)pyrrolidine-2-carboxamide

C21H20N2O4 — CID 5159919

IUPACN-(2-ethylphenyl)-5-oxo-1-(3-oxo-1H-2-benzofuran-1-yl)pyrrolidine-2-carboxamide
SMILESCCc1ccccc1NC(=O)C1CCC(=O)N1C1OC(=O)c2ccccc21
InChIInChI=1S/C21H20N2O4/c1-2-13-7-3-6-10-16(13)22-19(25)17-11-12-18(24)23(17)20-14-8-4-5-9-15(14)21(26)27-20/h3-10,17,20H,2,11-12H2,1H3,(H,22,25)
InChIKeyBWFHQDZLUXJFDT-UHFFFAOYSA-N
MW364.40 g/mol
LogP3.05
Rot. Bonds4

About N-(2-ethylphenyl)-5-oxo-1-(3-oxo-1H-2-benzofuran-1-yl)pyrrolidine-2-carboxamide

N-(2-ethylphenyl)-5-oxo-1-(3-oxo-1H-2-benzofuran-1-yl)pyrrolidine-2-carboxamide (PubChem CID 5159919) has the molecular formula C21H20N2O4 and a molecular weight of 364.40 g/mol. Its IUPAC name is N-(2-ethylphenyl)-5-oxo-1-(3-oxo-1H-2-benzofuran-1-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-5-oxo-1-(3-oxo-1H-2-benzofuran-1-yl)pyrrolidine-2-carboxamide
PubChem CID5159919
Molecular FormulaC21H20N2O4
Molecular Weight364.40 g/mol
Exact Mass364.14
IUPAC NameN-(2-ethylphenyl)-5-oxo-1-(3-oxo-1H-2-benzofuran-1-yl)pyrrolidine-2-carboxamide
SMILESCCc1ccccc1NC(=O)C1CCC(=O)N1C1OC(=O)c2ccccc21
InChIInChI=1S/C21H20N2O4/c1-2-13-7-3-6-10-16(13)22-19(25)17-11-12-18(24)23(17)20-14-8-4-5-9-15(14)21(26)27-20/h3-10,17,20H,2,11-12H2,1H3,(H,22,25)
InChIKeyBWFHQDZLUXJFDT-UHFFFAOYSA-N
XLogP3.05
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-oxo-1-(3-oxo-1H-2-benzofuran-1-yl)-N-propylpyrrolidine-2-carboxamide
CID 3842918
(2S)-N-(2,5-dimethylphenyl)-5-oxo-1-[(1S)-3-oxo-1H-2-benzofuran-1-yl]pyrrolidine-2-carboxamide
CID 7084177
(2S)-N-[(2R)-butan-2-yl]-5-oxo-1-[(1R)-3-oxo-1H-2-benzofuran-1-yl]pyrrolidine-2-carboxamide
CID 7083516
N-(4-acetylphenyl)-5-oxo-1-(3-oxo-1H-2-benzofuran-1-yl)pyrrolidine-2-carboxamide
CID 3775144
(2S)-N-(3,5-dichlorophenyl)-5-oxo-1-[(1R)-3-oxo-1H-2-benzofuran-1-yl]pyrrolidine-2-carboxamide
CID 6575602
(2S)-N-(3,4-difluorophenyl)-5-oxo-1-[(1S)-3-oxo-1H-2-benzofuran-1-yl]pyrrolidine-2-carboxamide
CID 7083768
(2S)-5-oxo-1-[(1R)-3-oxo-1H-2-benzofuran-1-yl]-N-[(2S)-4-phenylbutan-2-yl]pyrrolidine-2-carboxamide
CID 7083890
(2S)-N-(3,4-dimethoxyphenyl)-5-oxo-1-[(1R)-3-oxo-1H-2-benzofuran-1-yl]pyrrolidine-2-carboxamide
CID 7083406
(2S)-N-[(2R)-2-ethylhexyl]-5-oxo-1-[(1R)-3-oxo-1H-2-benzofuran-1-yl]pyrrolidine-2-carboxamide
CID 7086581
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-oxo-1-(3-oxo-1H-2-benzofuran-1-yl)pyrrolidine-2-carboxamide
CID 5204075
1-N,4-N-bis(2-ethylphenyl)cyclohexane-1,4-dicarboxamide
CID 40704434
N-(2-ethylphenyl)cyclopentanecarboxamide
CID 897142

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-5-oxo-1-(3-oxo-1H-2-benzofuran-1-yl)pyrrolidine-2-carboxamide?
The IUPAC name of N-(2-ethylphenyl)-5-oxo-1-(3-oxo-1H-2-benzofuran-1-yl)pyrrolidine-2-carboxamide (CID 5159919) is N-(2-ethylphenyl)-5-oxo-1-(3-oxo-1H-2-benzofuran-1-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(2-ethylphenyl)-5-oxo-1-(3-oxo-1H-2-benzofuran-1-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-(2-ethylphenyl)-5-oxo-1-(3-oxo-1H-2-benzofuran-1-yl)pyrrolidine-2-carboxamide is CCc1ccccc1NC(=O)C1CCC(=O)N1C1OC(=O)c2ccccc21.
What is the InChIKey of N-(2-ethylphenyl)-5-oxo-1-(3-oxo-1H-2-benzofuran-1-yl)pyrrolidine-2-carboxamide?
The InChIKey is BWFHQDZLUXJFDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4/c1-2-13-7-3-6-10-16(13)22-19(25)17-11-12-18(24)23(17)20-14-8-4-5-9-15(14)21(26)27-20/h3-10,17,20H,2,11-12H2,1H3,(H,22,25).
What are the key properties of N-(2-ethylphenyl)-5-oxo-1-(3-oxo-1H-2-benzofuran-1-yl)pyrrolidine-2-carboxamide?
N-(2-ethylphenyl)-5-oxo-1-(3-oxo-1H-2-benzofuran-1-yl)pyrrolidine-2-carboxamide has a molecular weight of 364.40 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-5-oxo-1-(3-oxo-1H-2-benzofuran-1-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 5159919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).