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

C24H27FN2O4 — CID 45190781

IUPAC2-[3-(2-fluorophenyl)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-(2-phenylethyl)acetamide
SMILESCOCCN1C(=O)CC(CC(=O)N(C)CCc2ccccc2)(c2ccccc2F)C1=O
InChIInChI=1S/C24H27FN2O4/c1-26(13-12-18-8-4-3-5-9-18)21(28)16-24(19-10-6-7-11-20(19)25)17-22(29)27(23(24)30)14-15-31-2/h3-11H,12-17H2,1-2H3
InChIKeyKNHAIZCTWUKRFN-UHFFFAOYSA-N
MW426.49 g/mol
LogP2.56
Rot. Bonds9

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

2-[3-(2-fluorophenyl)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-(2-phenylethyl)acetamide (PubChem CID 45190781) has the molecular formula C24H27FN2O4 and a molecular weight of 426.49 g/mol. Its IUPAC name is 2-[3-(2-fluorophenyl)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[3-(2-fluorophenyl)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-(2-phenylethyl)acetamide
PubChem CID45190781
Molecular FormulaC24H27FN2O4
Molecular Weight426.49 g/mol
Exact Mass426.20
IUPAC Name2-[3-(2-fluorophenyl)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-(2-phenylethyl)acetamide
SMILESCOCCN1C(=O)CC(CC(=O)N(C)CCc2ccccc2)(c2ccccc2F)C1=O
InChIInChI=1S/C24H27FN2O4/c1-26(13-12-18-8-4-3-5-9-18)21(28)16-24(19-10-6-7-11-20(19)25)17-22(29)27(23(24)30)14-15-31-2/h3-11H,12-17H2,1-2H3
InChIKeyKNHAIZCTWUKRFN-UHFFFAOYSA-N
XLogP2.56
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.49
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-fluorophenyl)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[3-(2-fluorophenyl)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-(2-phenylethyl)acetamide (CID 45190781) is 2-[3-(2-fluorophenyl)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[3-(2-fluorophenyl)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[3-(2-fluorophenyl)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-(2-phenylethyl)acetamide is COCCN1C(=O)CC(CC(=O)N(C)CCc2ccccc2)(c2ccccc2F)C1=O.
What is the InChIKey of 2-[3-(2-fluorophenyl)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-(2-phenylethyl)acetamide?
The InChIKey is KNHAIZCTWUKRFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN2O4/c1-26(13-12-18-8-4-3-5-9-18)21(28)16-24(19-10-6-7-11-20(19)25)17-22(29)27(23(24)30)14-15-31-2/h3-11H,12-17H2,1-2H3.
What are the key properties of 2-[3-(2-fluorophenyl)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-(2-phenylethyl)acetamide?
2-[3-(2-fluorophenyl)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-(2-phenylethyl)acetamide has a molecular weight of 426.49 g/mol, XLogP of 2.56, 9 rotatable bonds, 0 hydrogen bond donors, and 4 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-(2-phenylethyl)acetamide is sourced from PubChem (CID 45190781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).