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

C20H21ClN2O3 — CID 7547833

IUPAC2-(4-chlorophenoxy)-N-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]acetamide
SMILESCc1ccc(N2C[C@@H](NC(=O)COc3ccc(Cl)cc3)CC2=O)cc1C
InChIInChI=1S/C20H21ClN2O3/c1-13-3-6-17(9-14(13)2)23-11-16(10-20(23)25)22-19(24)12-26-18-7-4-15(21)5-8-18/h3-9,16H,10-12H2,1-2H3,(H,22,24)/t16-/m0/s1
InChIKeySRTUMYXXBBPLFB-INIZCTEOSA-N
MW372.85 g/mol
LogP3.26
Rot. Bonds5

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

2-(4-chlorophenoxy)-N-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]acetamide (PubChem CID 7547833) has the molecular formula C20H21ClN2O3 and a molecular weight of 372.85 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]acetamide
PubChem CID7547833
Molecular FormulaC20H21ClN2O3
Molecular Weight372.85 g/mol
Exact Mass372.12
IUPAC Name2-(4-chlorophenoxy)-N-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]acetamide
SMILESCc1ccc(N2C[C@@H](NC(=O)COc3ccc(Cl)cc3)CC2=O)cc1C
InChIInChI=1S/C20H21ClN2O3/c1-13-3-6-17(9-14(13)2)23-11-16(10-20(23)25)22-19(24)12-26-18-7-4-15(21)5-8-18/h3-9,16H,10-12H2,1-2H3,(H,22,24)/t16-/m0/s1
InChIKeySRTUMYXXBBPLFB-INIZCTEOSA-N
XLogP3.26
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.85
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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
N-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2-(4-methoxyphenoxy)acetamide
CID 16822158
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
3-chloro-N-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]propanamide
CID 7547596
1-[(4-chlorophenyl)methyl]-3-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7543334
N-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-(4-methoxyphenyl)propanamide
CID 7255127
N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-4-ethoxybenzamide
CID 16822308
N-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-2-naphthalen-2-yloxyacetamide
CID 16822122
N-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-2-(4-propan-2-ylphenoxy)acetamide
CID 7563716
2-(4-ethoxyphenoxy)-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]acetamide
CID 7546892

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]acetamide (CID 7547833) is 2-(4-chlorophenoxy)-N-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]acetamide is Cc1ccc(N2C[C@@H](NC(=O)COc3ccc(Cl)cc3)CC2=O)cc1C.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]acetamide?
The InChIKey is SRTUMYXXBBPLFB-INIZCTEOSA-N. The full InChI is InChI=1S/C20H21ClN2O3/c1-13-3-6-17(9-14(13)2)23-11-16(10-20(23)25)22-19(24)12-26-18-7-4-15(21)5-8-18/h3-9,16H,10-12H2,1-2H3,(H,22,24)/t16-/m0/s1.
What are the key properties of 2-(4-chlorophenoxy)-N-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]acetamide?
2-(4-chlorophenoxy)-N-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]acetamide has a molecular weight of 372.85 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]acetamide is sourced from PubChem (CID 7547833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).