3-chloro-N-[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]propanamide

C15H19ClN2O4 — CID 43971326

IUPAC3-chloro-N-[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]propanamide
SMILESCOc1ccc(N2CC(NC(=O)CCCl)CC2=O)cc1OC
InChIInChI=1S/C15H19ClN2O4/c1-21-12-4-3-11(8-13(12)22-2)18-9-10(7-15(18)20)17-14(19)5-6-16/h3-4,8,10H,5-7,9H2,1-2H3,(H,17,19)
InChIKeyFGSFSWPPJAKUDW-UHFFFAOYSA-N
MW326.78 g/mol
LogP1.55
Rot. Bonds6

About 3-chloro-N-[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]propanamide

3-chloro-N-[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]propanamide (PubChem CID 43971326) has the molecular formula C15H19ClN2O4 and a molecular weight of 326.78 g/mol. Its IUPAC name is 3-chloro-N-[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]propanamide.

Molecular Properties

Compound Name3-chloro-N-[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]propanamide
PubChem CID43971326
Molecular FormulaC15H19ClN2O4
Molecular Weight326.78 g/mol
Exact Mass326.10
IUPAC Name3-chloro-N-[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]propanamide
SMILESCOc1ccc(N2CC(NC(=O)CCCl)CC2=O)cc1OC
InChIInChI=1S/C15H19ClN2O4/c1-21-12-4-3-11(8-13(12)22-2)18-9-10(7-15(18)20)17-14(19)5-6-16/h3-4,8,10H,5-7,9H2,1-2H3,(H,17,19)
InChIKeyFGSFSWPPJAKUDW-UHFFFAOYSA-N
XLogP1.55
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.78
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]propanamide
CID 7547596
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-chlorophenoxy)-N-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]acetamide
CID 7564324
3-chloro-N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]propanamide
CID 7563794
N-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-3,3-diphenylpropanamide
CID 41152252
1-[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-ethylurea
CID 43970655
N-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-2-ethylbutanamide
CID 7255699
3-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-1,1-diethylurea
CID 7552346
3-chloro-N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]propanamide
CID 43971031
3-[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-1,1-di(propan-2-yl)urea
CID 43970629
N-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-2-(2-fluorophenoxy)acetamide
CID 7255738

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]propanamide?
The IUPAC name of 3-chloro-N-[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]propanamide (CID 43971326) is 3-chloro-N-[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]propanamide.
What is the SMILES notation for 3-chloro-N-[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]propanamide?
The canonical SMILES for 3-chloro-N-[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]propanamide is COc1ccc(N2CC(NC(=O)CCCl)CC2=O)cc1OC.
What is the InChIKey of 3-chloro-N-[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]propanamide?
The InChIKey is FGSFSWPPJAKUDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O4/c1-21-12-4-3-11(8-13(12)22-2)18-9-10(7-15(18)20)17-14(19)5-6-16/h3-4,8,10H,5-7,9H2,1-2H3,(H,17,19).
What are the key properties of 3-chloro-N-[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]propanamide?
3-chloro-N-[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]propanamide has a molecular weight of 326.78 g/mol, XLogP of 1.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]propanamide is sourced from PubChem (CID 43971326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).