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

C21H23ClN2O2 — CID 110640183

IUPAC2-(4-chlorophenyl)-N-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]acetamide
SMILESO=C(Cc1ccc(Cl)cc1)NCC1CC(=O)N(CCc2ccccc2)C1
InChIInChI=1S/C21H23ClN2O2/c22-19-8-6-17(7-9-19)12-20(25)23-14-18-13-21(26)24(15-18)11-10-16-4-2-1-3-5-16/h1-9,18H,10-15H2,(H,23,25)
InChIKeyLIAWHUGKBLZHDG-UHFFFAOYSA-N
MW370.88 g/mol
LogP3.09
Rot. Bonds7

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

2-(4-chlorophenyl)-N-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]acetamide (PubChem CID 110640183) has the molecular formula C21H23ClN2O2 and a molecular weight of 370.88 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]acetamide
PubChem CID110640183
Molecular FormulaC21H23ClN2O2
Molecular Weight370.88 g/mol
Exact Mass370.14
IUPAC Name2-(4-chlorophenyl)-N-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]acetamide
SMILESO=C(Cc1ccc(Cl)cc1)NCC1CC(=O)N(CCc2ccccc2)C1
InChIInChI=1S/C21H23ClN2O2/c22-19-8-6-17(7-9-19)12-20(25)23-14-18-13-21(26)24(15-18)11-10-16-4-2-1-3-5-16/h1-9,18H,10-15H2,(H,23,25)
InChIKeyLIAWHUGKBLZHDG-UHFFFAOYSA-N
XLogP3.09
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.88
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenoxy)-N-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]acetamide
CID 110640187
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
5-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methylcarbamoyl]furan-2-carboxylic acid
CID 167826538
1-(3-chlorophenyl)-3-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]urea
CID 110413373
N-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-4-phenoxybutanamide
CID 110640189
N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]-2-phenylacetamide
CID 110737035
2-(4-methylphenoxy)-N-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]acetamide
CID 110640198
1-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-3-(4-chlorophenyl)urea
CID 3025488
cis-(1R,2S)-2-(3,4-dichlorophenyl)-N-[[(3S)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]cyclopropane-1-carboxamide
CID 96535343
2-(3-chlorophenyl)-N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]acetamide
CID 110737325
N-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-2-phenylacetamide
CID 110719865

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]acetamide (CID 110640183) is 2-(4-chlorophenyl)-N-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]acetamide is O=C(Cc1ccc(Cl)cc1)NCC1CC(=O)N(CCc2ccccc2)C1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]acetamide?
The InChIKey is LIAWHUGKBLZHDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O2/c22-19-8-6-17(7-9-19)12-20(25)23-14-18-13-21(26)24(15-18)11-10-16-4-2-1-3-5-16/h1-9,18H,10-15H2,(H,23,25).
What are the key properties of 2-(4-chlorophenyl)-N-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]acetamide?
2-(4-chlorophenyl)-N-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]acetamide has a molecular weight of 370.88 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]acetamide is sourced from PubChem (CID 110640183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).