3-(3,4-dimethoxyphenyl)-N-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]prop-2-enamide

C21H21FN2O4 — CID 71962645

IUPAC3-(3,4-dimethoxyphenyl)-N-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]prop-2-enamide
SMILESCOc1ccc(C=CC(=O)NC2CC(=O)N(c3cccc(F)c3)C2)cc1OC
InChIInChI=1S/C21H21FN2O4/c1-27-18-8-6-14(10-19(18)28-2)7-9-20(25)23-16-12-21(26)24(13-16)17-5-3-4-15(22)11-17/h3-11,16H,12-13H2,1-2H3,(H,23,25)
InChIKeyAHMFLRSUJXJUEM-UHFFFAOYSA-N
MW384.41 g/mol
LogP2.78
Rot. Bonds6

About 3-(3,4-dimethoxyphenyl)-N-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]prop-2-enamide

3-(3,4-dimethoxyphenyl)-N-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]prop-2-enamide (PubChem CID 71962645) has the molecular formula C21H21FN2O4 and a molecular weight of 384.41 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-N-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]prop-2-enamide.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-N-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]prop-2-enamide
PubChem CID71962645
Molecular FormulaC21H21FN2O4
Molecular Weight384.41 g/mol
Exact Mass384.15
IUPAC Name3-(3,4-dimethoxyphenyl)-N-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]prop-2-enamide
SMILESCOc1ccc(C=CC(=O)NC2CC(=O)N(c3cccc(F)c3)C2)cc1OC
InChIInChI=1S/C21H21FN2O4/c1-27-18-8-6-14(10-19(18)28-2)7-9-20(25)23-16-12-21(26)24(13-16)17-5-3-4-15(22)11-17/h3-11,16H,12-13H2,1-2H3,(H,23,25)
InChIKeyAHMFLRSUJXJUEM-UHFFFAOYSA-N
XLogP2.78
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.41
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-(3,4-dimethoxyphenyl)-N-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z)-3-(3,4-dimethoxyphenyl)-N-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]prop-2-enamide
CID 7255249
(E)-3-(3,4-dimethoxyphenyl)-N-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]prop-2-enamide
CID 178187305
(Z)-N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 7563894
(Z)-N-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-phenylprop-2-enamide
CID 7255727
(Z)-N-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(4-nitrophenyl)prop-2-enamide
CID 7255427
1-(3,4-dimethoxyphenyl)-3-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 7547448
N-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-2-(2-methoxyphenoxy)acetamide
CID 16822262
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 7547252
1-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(2-methoxyphenyl)urea
CID 7215573
N-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-2,3-dimethoxybenzamide
CID 43971122
(E)-N-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 7547320
(Z)-N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(4-nitrophenyl)prop-2-enamide
CID 16822197

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-N-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]prop-2-enamide?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-N-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]prop-2-enamide (CID 71962645) is 3-(3,4-dimethoxyphenyl)-N-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]prop-2-enamide.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-N-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]prop-2-enamide?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-N-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]prop-2-enamide is COc1ccc(C=CC(=O)NC2CC(=O)N(c3cccc(F)c3)C2)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-N-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]prop-2-enamide?
The InChIKey is AHMFLRSUJXJUEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O4/c1-27-18-8-6-14(10-19(18)28-2)7-9-20(25)23-16-12-21(26)24(13-16)17-5-3-4-15(22)11-17/h3-11,16H,12-13H2,1-2H3,(H,23,25).
What are the key properties of 3-(3,4-dimethoxyphenyl)-N-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]prop-2-enamide?
3-(3,4-dimethoxyphenyl)-N-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]prop-2-enamide has a molecular weight of 384.41 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-N-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]prop-2-enamide is sourced from PubChem (CID 71962645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).