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

C21H23ClN2O4 — CID 46597575

IUPAC1-(3-chlorophenyl)-N-(3,4-diethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCOc1ccc(NC(=O)C2CC(=O)N(c3cccc(Cl)c3)C2)cc1OCC
InChIInChI=1S/C21H23ClN2O4/c1-3-27-18-9-8-16(12-19(18)28-4-2)23-21(26)14-10-20(25)24(13-14)17-7-5-6-15(22)11-17/h5-9,11-12,14H,3-4,10,13H2,1-2H3,(H,23,26)
InChIKeyUONKGEMAVUTOLG-UHFFFAOYSA-N
MW402.88 g/mol
LogP4.13
Rot. Bonds7

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

1-(3-chlorophenyl)-N-(3,4-diethoxyphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 46597575) has the molecular formula C21H23ClN2O4 and a molecular weight of 402.88 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-(3,4-diethoxyphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-(3,4-diethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID46597575
Molecular FormulaC21H23ClN2O4
Molecular Weight402.88 g/mol
Exact Mass402.13
IUPAC Name1-(3-chlorophenyl)-N-(3,4-diethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCOc1ccc(NC(=O)C2CC(=O)N(c3cccc(Cl)c3)C2)cc1OCC
InChIInChI=1S/C21H23ClN2O4/c1-3-27-18-9-8-16(12-19(18)28-4-2)23-21(26)14-10-20(25)24(13-14)17-7-5-6-15(22)11-17/h5-9,11-12,14H,3-4,10,13H2,1-2H3,(H,23,26)
InChIKeyUONKGEMAVUTOLG-UHFFFAOYSA-N
XLogP4.13
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.88
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chlorophenyl)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-5-oxopyrrolidine-3-carboxamide
CID 42953029
N-(3-chlorophenyl)-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 18886180
(3S)-N-(4-butoxyphenyl)-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 124529015
(3S)-N-(4-acetamidophenyl)-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 1090585
N-(3-acetylphenyl)-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 46586062
(3R)-1-cyclopropyl-N-(3,4-diethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 38207326
(3R)-N-(4-ethoxy-3-methoxyphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9102375
(3R)-N-(3-chlorophenyl)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide
CID 2197777
4-[[(3S)-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 9004855
1-(3-chlorophenyl)-5-oxo-N-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 113187439
(3S)-1-(3-chlorophenyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 124529025
(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-ethoxy-3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9102355

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-(3,4-diethoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-N-(3,4-diethoxyphenyl)-5-oxopyrrolidine-3-carboxamide (CID 46597575) is 1-(3-chlorophenyl)-N-(3,4-diethoxyphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-N-(3,4-diethoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-N-(3,4-diethoxyphenyl)-5-oxopyrrolidine-3-carboxamide is CCOc1ccc(NC(=O)C2CC(=O)N(c3cccc(Cl)c3)C2)cc1OCC.
What is the InChIKey of 1-(3-chlorophenyl)-N-(3,4-diethoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is UONKGEMAVUTOLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O4/c1-3-27-18-9-8-16(12-19(18)28-4-2)23-21(26)14-10-20(25)24(13-14)17-7-5-6-15(22)11-17/h5-9,11-12,14H,3-4,10,13H2,1-2H3,(H,23,26).
What are the key properties of 1-(3-chlorophenyl)-N-(3,4-diethoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
1-(3-chlorophenyl)-N-(3,4-diethoxyphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 402.88 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-(3,4-diethoxyphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 46597575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).