N-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-(4-methoxyphenyl)acetamide

C19H19ClN2O3 — CID 7563965

IUPACN-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)N[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1
InChIInChI=1S/C19H19ClN2O3/c1-25-17-8-2-13(3-9-17)10-18(23)21-15-11-19(24)22(12-15)16-6-4-14(20)5-7-16/h2-9,15H,10-12H2,1H3,(H,21,23)/t15-/m0/s1
InChIKeyVAHVAILQMRMZIA-HNNXBMFYSA-N
MW358.83 g/mol
LogP2.81
Rot. Bonds5

About N-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-(4-methoxyphenyl)acetamide

N-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-(4-methoxyphenyl)acetamide (PubChem CID 7563965) has the molecular formula C19H19ClN2O3 and a molecular weight of 358.83 g/mol. Its IUPAC name is N-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-(4-methoxyphenyl)acetamide
PubChem CID7563965
Molecular FormulaC19H19ClN2O3
Molecular Weight358.83 g/mol
Exact Mass358.11
IUPAC NameN-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)N[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1
InChIInChI=1S/C19H19ClN2O3/c1-25-17-8-2-13(3-9-17)10-18(23)21-15-11-19(24)22(12-15)16-6-4-14(20)5-7-16/h2-9,15H,10-12H2,1H3,(H,21,23)/t15-/m0/s1
InChIKeyVAHVAILQMRMZIA-HNNXBMFYSA-N
XLogP2.81
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.83
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxyphenyl)-N-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]acetamide
CID 7546938
N-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-phenylacetamide
CID 43971002
N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2-(4-methoxyphenyl)acetamide
CID 43971073
N-[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-2-(4-methoxyphenyl)acetamide
CID 18573415
N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-4-methoxybenzamide
CID 16822307
N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-4-methoxybenzamide
CID 7563827
N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-(4-phenylphenyl)acetamide
CID 43971255
3-(4-methoxyphenyl)-N-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]propanamide
CID 7255066
5-chloro-2-methoxy-N-[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7548591
2-(4-chlorophenoxy)-N-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]acetamide
CID 7564324
N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-methylbutanamide
CID 7255518
1-[2-(4-methoxyphenyl)ethyl]-3-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 18564273

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-(4-methoxyphenyl)acetamide (CID 7563965) is N-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-(4-methoxyphenyl)acetamide is COc1ccc(CC(=O)N[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1.
What is the InChIKey of N-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-(4-methoxyphenyl)acetamide?
The InChIKey is VAHVAILQMRMZIA-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H19ClN2O3/c1-25-17-8-2-13(3-9-17)10-18(23)21-15-11-19(24)22(12-15)16-6-4-14(20)5-7-16/h2-9,15H,10-12H2,1H3,(H,21,23)/t15-/m0/s1.
What are the key properties of N-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-(4-methoxyphenyl)acetamide?
N-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-(4-methoxyphenyl)acetamide has a molecular weight of 358.83 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 7563965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).