2-(3,4-dimethoxyphenyl)ethyl-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]azanium

C20H22FN2O4+ — CID 4660391

IUPAC2-(3,4-dimethoxyphenyl)ethyl-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]azanium
SMILESCOc1ccc(CC[NH2+]C2CC(=O)N(c3ccc(F)cc3)C2=O)cc1OC
InChIInChI=1S/C20H21FN2O4/c1-26-17-8-3-13(11-18(17)27-2)9-10-22-16-12-19(24)23(20(16)25)15-6-4-14(21)5-7-15/h3-8,11,16,22H,9-10,12H2,1-2H3/p+1
InChIKeyIWKSNBHXXFYIFD-UHFFFAOYSA-O
MW373.40 g/mol
LogP1.28
Rot. Bonds7

About 2-(3,4-dimethoxyphenyl)ethyl-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]azanium

2-(3,4-dimethoxyphenyl)ethyl-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]azanium (PubChem CID 4660391) has the molecular formula C20H22FN2O4+ and a molecular weight of 373.40 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)ethyl-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]azanium.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)ethyl-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]azanium
PubChem CID4660391
Molecular FormulaC20H22FN2O4+
Molecular Weight373.40 g/mol
Exact Mass373.16
IUPAC Name2-(3,4-dimethoxyphenyl)ethyl-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]azanium
SMILESCOc1ccc(CC[NH2+]C2CC(=O)N(c3ccc(F)cc3)C2=O)cc1OC
InChIInChI=1S/C20H21FN2O4/c1-26-17-8-3-13(11-18(17)27-2)9-10-22-16-12-19(24)23(20(16)25)15-6-4-14(21)5-7-15/h3-8,11,16,22H,9-10,12H2,1-2H3/p+1
InChIKeyIWKSNBHXXFYIFD-UHFFFAOYSA-O
XLogP1.28
TPSA72.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.40
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(3,4-dimethoxyphenyl)ethyl-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]azanium 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

2-(3,4-dimethoxyphenyl)ethyl-[(3S)-1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]azanium
CID 7117747
2-(3,4-dimethoxyphenyl)ethyl-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]azanium
CID 7029981
2-(4-chlorophenyl)ethyl-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]azanium
CID 4246990
[(3R)-1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-[(3,4-dimethoxyphenyl)methyl]azanium
CID 7317627
2-(3,4-dimethoxyphenyl)ethyl-[(3R)-1-(dimethylamino)-2,5-dioxopyrrolidin-3-yl]azanium
CID 7322635
[(3S)-1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-[2-(4-methoxyphenyl)ethyl]azanium
CID 6968752
2-(cyclohexen-1-yl)ethyl-[(3S)-1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]azanium
CID 6924486
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-fluoro-N-[(3R)-1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]benzamide
CID 51459921
[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-(2-phenylethyl)azanium
CID 4187294
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-fluoro-N-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]benzenesulfonamide
CID 23772820
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-fluoro-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]benzenesulfonamide
CID 23942732
[(3R)-1-(4-methoxycarbonylphenyl)-2,5-dioxopyrrolidin-3-yl]-(2-phenylethyl)azanium
CID 6959898

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)ethyl-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]azanium?
The IUPAC name of 2-(3,4-dimethoxyphenyl)ethyl-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]azanium (CID 4660391) is 2-(3,4-dimethoxyphenyl)ethyl-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]azanium.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)ethyl-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]azanium?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)ethyl-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]azanium is COc1ccc(CC[NH2+]C2CC(=O)N(c3ccc(F)cc3)C2=O)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)ethyl-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]azanium?
The InChIKey is IWKSNBHXXFYIFD-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H21FN2O4/c1-26-17-8-3-13(11-18(17)27-2)9-10-22-16-12-19(24)23(20(16)25)15-6-4-14(21)5-7-15/h3-8,11,16,22H,9-10,12H2,1-2H3/p+1.
What are the key properties of 2-(3,4-dimethoxyphenyl)ethyl-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]azanium?
2-(3,4-dimethoxyphenyl)ethyl-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]azanium has a molecular weight of 373.40 g/mol, XLogP of 1.28, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)ethyl-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]azanium is sourced from PubChem (CID 4660391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).