2-(4-chlorophenoxy)-N-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]acetamide

C20H21ClN2O5 — CID 7564324

IUPAC2-(4-chlorophenoxy)-N-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]acetamide
SMILESCOc1ccc(N2C[C@H](NC(=O)COc3ccc(Cl)cc3)CC2=O)cc1OC
InChIInChI=1S/C20H21ClN2O5/c1-26-17-8-5-15(10-18(17)27-2)23-11-14(9-20(23)25)22-19(24)12-28-16-6-3-13(21)4-7-16/h3-8,10,14H,9,11-12H2,1-2H3,(H,22,24)/t14-/m1/s1
InChIKeyZYDOCEJQTCVCDI-CQSZACIVSA-N
MW404.85 g/mol
LogP2.66
Rot. Bonds7

About 2-(4-chlorophenoxy)-N-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]acetamide

2-(4-chlorophenoxy)-N-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]acetamide (PubChem CID 7564324) has the molecular formula C20H21ClN2O5 and a molecular weight of 404.85 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]acetamide
PubChem CID7564324
Molecular FormulaC20H21ClN2O5
Molecular Weight404.85 g/mol
Exact Mass404.11
IUPAC Name2-(4-chlorophenoxy)-N-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]acetamide
SMILESCOc1ccc(N2C[C@H](NC(=O)COc3ccc(Cl)cc3)CC2=O)cc1OC
InChIInChI=1S/C20H21ClN2O5/c1-26-17-8-5-15(10-18(17)27-2)23-11-14(9-20(23)25)22-19(24)12-28-16-6-3-13(21)4-7-16/h3-8,10,14H,9,11-12H2,1-2H3,(H,22,24)/t14-/m1/s1
InChIKeyZYDOCEJQTCVCDI-CQSZACIVSA-N
XLogP2.66
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.85
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chlorophenoxy)-N-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]acetamide
CID 7547833
N-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2-(4-methoxyphenoxy)acetamide
CID 16822158
N-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-2-(2-fluorophenoxy)acetamide
CID 7255738
N-[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-2-(4-methoxyphenyl)acetamide
CID 18573415
3-chloro-N-[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]propanamide
CID 43971326
N-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2-(4-methylphenoxy)acetamide
CID 7547885
N-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2-(4-methylphenoxy)acetamide
CID 7547881
5-chloro-N-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-2-methoxybenzamide
CID 7255711
2-(4-methoxyphenoxy)-N-(5-oxo-1-phenylpyrrolidin-3-yl)acetamide
CID 16822099
N-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-(4-methoxyphenyl)acetamide
CID 7563965
N-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-3,3-dimethylbutanamide
CID 7255696
2-(4-fluorophenoxy)-N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]acetamide
CID 16822193

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]acetamide (CID 7564324) is 2-(4-chlorophenoxy)-N-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]acetamide is COc1ccc(N2C[C@H](NC(=O)COc3ccc(Cl)cc3)CC2=O)cc1OC.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]acetamide?
The InChIKey is ZYDOCEJQTCVCDI-CQSZACIVSA-N. The full InChI is InChI=1S/C20H21ClN2O5/c1-26-17-8-5-15(10-18(17)27-2)23-11-14(9-20(23)25)22-19(24)12-28-16-6-3-13(21)4-7-16/h3-8,10,14H,9,11-12H2,1-2H3,(H,22,24)/t14-/m1/s1.
What are the key properties of 2-(4-chlorophenoxy)-N-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]acetamide?
2-(4-chlorophenoxy)-N-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]acetamide has a molecular weight of 404.85 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]acetamide is sourced from PubChem (CID 7564324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).