2-(4-chlorophenoxy)-N-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]acetamide

C21H23ClN2O3 — CID 110640187

IUPAC2-(4-chlorophenoxy)-N-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1)NCC1CC(=O)N(CCc2ccccc2)C1
InChIInChI=1S/C21H23ClN2O3/c22-18-6-8-19(9-7-18)27-15-20(25)23-13-17-12-21(26)24(14-17)11-10-16-4-2-1-3-5-16/h1-9,17H,10-15H2,(H,23,25)
InChIKeyBWWOMGYDKJVLDJ-UHFFFAOYSA-N
MW386.88 g/mol
LogP2.93
Rot. Bonds8

About 2-(4-chlorophenoxy)-N-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]acetamide

2-(4-chlorophenoxy)-N-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]acetamide (PubChem CID 110640187) has the molecular formula C21H23ClN2O3 and a molecular weight of 386.88 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]acetamide
PubChem CID110640187
Molecular FormulaC21H23ClN2O3
Molecular Weight386.88 g/mol
Exact Mass386.14
IUPAC Name2-(4-chlorophenoxy)-N-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1)NCC1CC(=O)N(CCc2ccccc2)C1
InChIInChI=1S/C21H23ClN2O3/c22-18-6-8-19(9-7-18)27-15-20(25)23-13-17-12-21(26)24(14-17)11-10-16-4-2-1-3-5-16/h1-9,17H,10-15H2,(H,23,25)
InChIKeyBWWOMGYDKJVLDJ-UHFFFAOYSA-N
XLogP2.93
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.88
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methylphenoxy)-N-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]acetamide
CID 110640198
2-(4-chlorophenyl)-N-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]acetamide
CID 110640183
N-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-4-phenoxybutanamide
CID 110640189
2-(4-chlorophenoxy)-N-[[1-[2-(4-chlorophenyl)ethyl]azetidin-3-yl]methyl]acetamide
CID 137402151
1-(3-chlorophenyl)-3-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]urea
CID 110413373
N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-2-(2-methylphenoxy)acetamide
CID 16919339
N-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-(4-fluorophenoxy)acetamide
CID 16918888
5-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methylcarbamoyl]furan-2-carboxylic acid
CID 167826538
N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-2-phenylacetamide
CID 16919346
2-(cyclohexen-1-yl)-N-[[(3R)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]acetamide
CID 97082046
2-phenoxy-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]acetamide
CID 16895752
1-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-3-(4-chlorophenyl)urea
CID 3025488

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]acetamide (CID 110640187) is 2-(4-chlorophenoxy)-N-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]acetamide is O=C(COc1ccc(Cl)cc1)NCC1CC(=O)N(CCc2ccccc2)C1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]acetamide?
The InChIKey is BWWOMGYDKJVLDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O3/c22-18-6-8-19(9-7-18)27-15-20(25)23-13-17-12-21(26)24(14-17)11-10-16-4-2-1-3-5-16/h1-9,17H,10-15H2,(H,23,25).
What are the key properties of 2-(4-chlorophenoxy)-N-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]acetamide?
2-(4-chlorophenoxy)-N-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]acetamide has a molecular weight of 386.88 g/mol, XLogP of 2.93, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]acetamide is sourced from PubChem (CID 110640187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).