2-[3-(2-fluorophenyl)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-(oxolan-3-yl)acetamide

C20H25FN2O5 — CID 45170586

IUPAC2-[3-(2-fluorophenyl)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-(oxolan-3-yl)acetamide
SMILESCOCCN1C(=O)CC(CC(=O)N(C)C2CCOC2)(c2ccccc2F)C1=O
InChIInChI=1S/C20H25FN2O5/c1-22(14-7-9-28-13-14)17(24)11-20(15-5-3-4-6-16(15)21)12-18(25)23(19(20)26)8-10-27-2/h3-6,14H,7-13H2,1-2H3
InChIKeyASBPRCMHARSDBA-UHFFFAOYSA-N
MW392.43 g/mol
LogP1.11
Rot. Bonds7

About 2-[3-(2-fluorophenyl)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-(oxolan-3-yl)acetamide

2-[3-(2-fluorophenyl)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-(oxolan-3-yl)acetamide (PubChem CID 45170586) has the molecular formula C20H25FN2O5 and a molecular weight of 392.43 g/mol. Its IUPAC name is 2-[3-(2-fluorophenyl)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-(oxolan-3-yl)acetamide.

Molecular Properties

Compound Name2-[3-(2-fluorophenyl)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-(oxolan-3-yl)acetamide
PubChem CID45170586
Molecular FormulaC20H25FN2O5
Molecular Weight392.43 g/mol
Exact Mass392.17
IUPAC Name2-[3-(2-fluorophenyl)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-(oxolan-3-yl)acetamide
SMILESCOCCN1C(=O)CC(CC(=O)N(C)C2CCOC2)(c2ccccc2F)C1=O
InChIInChI=1S/C20H25FN2O5/c1-22(14-7-9-28-13-14)17(24)11-20(15-5-3-4-6-16(15)21)12-18(25)23(19(20)26)8-10-27-2/h3-6,14H,7-13H2,1-2H3
InChIKeyASBPRCMHARSDBA-UHFFFAOYSA-N
XLogP1.11
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[3-(2-fluorophenyl)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-(oxolan-3-yl)acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-fluorophenyl)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-(oxolan-3-yl)acetamide?
The IUPAC name of 2-[3-(2-fluorophenyl)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-(oxolan-3-yl)acetamide (CID 45170586) is 2-[3-(2-fluorophenyl)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-(oxolan-3-yl)acetamide.
What is the SMILES notation for 2-[3-(2-fluorophenyl)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-(oxolan-3-yl)acetamide?
The canonical SMILES for 2-[3-(2-fluorophenyl)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-(oxolan-3-yl)acetamide is COCCN1C(=O)CC(CC(=O)N(C)C2CCOC2)(c2ccccc2F)C1=O.
What is the InChIKey of 2-[3-(2-fluorophenyl)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-(oxolan-3-yl)acetamide?
The InChIKey is ASBPRCMHARSDBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O5/c1-22(14-7-9-28-13-14)17(24)11-20(15-5-3-4-6-16(15)21)12-18(25)23(19(20)26)8-10-27-2/h3-6,14H,7-13H2,1-2H3.
What are the key properties of 2-[3-(2-fluorophenyl)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-(oxolan-3-yl)acetamide?
2-[3-(2-fluorophenyl)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-(oxolan-3-yl)acetamide has a molecular weight of 392.43 g/mol, XLogP of 1.11, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-fluorophenyl)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-(oxolan-3-yl)acetamide is sourced from PubChem (CID 45170586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).