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

C20H21FN2O5 — CID 7255738

IUPACN-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-2-(2-fluorophenoxy)acetamide
SMILESCOc1ccc(N2C[C@H](NC(=O)COc3ccccc3F)CC2=O)cc1OC
InChIInChI=1S/C20H21FN2O5/c1-26-17-8-7-14(10-18(17)27-2)23-11-13(9-20(23)25)22-19(24)12-28-16-6-4-3-5-15(16)21/h3-8,10,13H,9,11-12H2,1-2H3,(H,22,24)/t13-/m1/s1
InChIKeyQYNODODXLCHIQM-CYBMUJFWSA-N
MW388.40 g/mol
LogP2.14
Rot. Bonds7

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

N-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-2-(2-fluorophenoxy)acetamide (PubChem CID 7255738) has the molecular formula C20H21FN2O5 and a molecular weight of 388.40 g/mol. Its IUPAC name is N-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-2-(2-fluorophenoxy)acetamide.

Molecular Properties

Compound NameN-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-2-(2-fluorophenoxy)acetamide
PubChem CID7255738
Molecular FormulaC20H21FN2O5
Molecular Weight388.40 g/mol
Exact Mass388.14
IUPAC NameN-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-2-(2-fluorophenoxy)acetamide
SMILESCOc1ccc(N2C[C@H](NC(=O)COc3ccccc3F)CC2=O)cc1OC
InChIInChI=1S/C20H21FN2O5/c1-26-17-8-7-14(10-18(17)27-2)23-11-13(9-20(23)25)22-19(24)12-28-16-6-4-3-5-15(16)21/h3-8,10,13H,9,11-12H2,1-2H3,(H,22,24)/t13-/m1/s1
InChIKeyQYNODODXLCHIQM-CYBMUJFWSA-N
XLogP2.14
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.40
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-2-(2-methoxyphenoxy)acetamide
CID 16822262
2-(2-fluorophenoxy)-N-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]acetamide
CID 16822267
2-(4-chlorophenoxy)-N-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]acetamide
CID 7564324
N-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2-(2-methylphenoxy)acetamide
CID 16822159
N-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-3,3-diphenylpropanamide
CID 41152252
3-chloro-N-[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]propanamide
CID 43971326
N-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-3,3-dimethylbutanamide
CID 7255696
N-[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-2-(4-methoxyphenyl)acetamide
CID 18573415
2-(4-fluorophenoxy)-N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]acetamide
CID 16822193
2-chloro-N-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-6-fluorobenzamide
CID 7255708
N-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-2-phenoxyacetamide
CID 7563674
N-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2-(4-methoxyphenoxy)acetamide
CID 16822158

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-2-(2-fluorophenoxy)acetamide?
The IUPAC name of N-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-2-(2-fluorophenoxy)acetamide (CID 7255738) is N-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-2-(2-fluorophenoxy)acetamide.
What is the SMILES notation for N-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-2-(2-fluorophenoxy)acetamide?
The canonical SMILES for N-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-2-(2-fluorophenoxy)acetamide is COc1ccc(N2C[C@H](NC(=O)COc3ccccc3F)CC2=O)cc1OC.
What is the InChIKey of N-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-2-(2-fluorophenoxy)acetamide?
The InChIKey is QYNODODXLCHIQM-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H21FN2O5/c1-26-17-8-7-14(10-18(17)27-2)23-11-13(9-20(23)25)22-19(24)12-28-16-6-4-3-5-15(16)21/h3-8,10,13H,9,11-12H2,1-2H3,(H,22,24)/t13-/m1/s1.
What are the key properties of N-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-2-(2-fluorophenoxy)acetamide?
N-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-2-(2-fluorophenoxy)acetamide has a molecular weight of 388.40 g/mol, XLogP of 2.14, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-2-(2-fluorophenoxy)acetamide is sourced from PubChem (CID 7255738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).