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

C17H21FN2O4 — CID 45185127

IUPAC2-[3-(3-fluorophenyl)-1-methyl-2,5-dioxopyrrolidin-3-yl]-N-(2-methoxyethyl)-N-methylacetamide
SMILESCOCCN(C)C(=O)CC1(c2cccc(F)c2)CC(=O)N(C)C1=O
InChIInChI=1S/C17H21FN2O4/c1-19(7-8-24-3)14(21)10-17(11-15(22)20(2)16(17)23)12-5-4-6-13(18)9-12/h4-6,9H,7-8,10-11H2,1-3H3
InChIKeyOBANKOUVSKPWMQ-UHFFFAOYSA-N
MW336.36 g/mol
LogP0.95
Rot. Bonds6

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

2-[3-(3-fluorophenyl)-1-methyl-2,5-dioxopyrrolidin-3-yl]-N-(2-methoxyethyl)-N-methylacetamide (PubChem CID 45185127) has the molecular formula C17H21FN2O4 and a molecular weight of 336.36 g/mol. Its IUPAC name is 2-[3-(3-fluorophenyl)-1-methyl-2,5-dioxopyrrolidin-3-yl]-N-(2-methoxyethyl)-N-methylacetamide.

Molecular Properties

Compound Name2-[3-(3-fluorophenyl)-1-methyl-2,5-dioxopyrrolidin-3-yl]-N-(2-methoxyethyl)-N-methylacetamide
PubChem CID45185127
Molecular FormulaC17H21FN2O4
Molecular Weight336.36 g/mol
Exact Mass336.15
IUPAC Name2-[3-(3-fluorophenyl)-1-methyl-2,5-dioxopyrrolidin-3-yl]-N-(2-methoxyethyl)-N-methylacetamide
SMILESCOCCN(C)C(=O)CC1(c2cccc(F)c2)CC(=O)N(C)C1=O
InChIInChI=1S/C17H21FN2O4/c1-19(7-8-24-3)14(21)10-17(11-15(22)20(2)16(17)23)12-5-4-6-13(18)9-12/h4-6,9H,7-8,10-11H2,1-3H3
InChIKeyOBANKOUVSKPWMQ-UHFFFAOYSA-N
XLogP0.95
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.36
LogP ≤ 50.95
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-(3-fluorophenyl)-1-methyl-2,5-dioxopyrrolidin-3-yl]-N-(2-methoxyethyl)-N-methylacetamide?
The IUPAC name of 2-[3-(3-fluorophenyl)-1-methyl-2,5-dioxopyrrolidin-3-yl]-N-(2-methoxyethyl)-N-methylacetamide (CID 45185127) is 2-[3-(3-fluorophenyl)-1-methyl-2,5-dioxopyrrolidin-3-yl]-N-(2-methoxyethyl)-N-methylacetamide.
What is the SMILES notation for 2-[3-(3-fluorophenyl)-1-methyl-2,5-dioxopyrrolidin-3-yl]-N-(2-methoxyethyl)-N-methylacetamide?
The canonical SMILES for 2-[3-(3-fluorophenyl)-1-methyl-2,5-dioxopyrrolidin-3-yl]-N-(2-methoxyethyl)-N-methylacetamide is COCCN(C)C(=O)CC1(c2cccc(F)c2)CC(=O)N(C)C1=O.
What is the InChIKey of 2-[3-(3-fluorophenyl)-1-methyl-2,5-dioxopyrrolidin-3-yl]-N-(2-methoxyethyl)-N-methylacetamide?
The InChIKey is OBANKOUVSKPWMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O4/c1-19(7-8-24-3)14(21)10-17(11-15(22)20(2)16(17)23)12-5-4-6-13(18)9-12/h4-6,9H,7-8,10-11H2,1-3H3.
What are the key properties of 2-[3-(3-fluorophenyl)-1-methyl-2,5-dioxopyrrolidin-3-yl]-N-(2-methoxyethyl)-N-methylacetamide?
2-[3-(3-fluorophenyl)-1-methyl-2,5-dioxopyrrolidin-3-yl]-N-(2-methoxyethyl)-N-methylacetamide has a molecular weight of 336.36 g/mol, XLogP of 0.95, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-fluorophenyl)-1-methyl-2,5-dioxopyrrolidin-3-yl]-N-(2-methoxyethyl)-N-methylacetamide is sourced from PubChem (CID 45185127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).