2-[1-cyclopentyl-3-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-methoxyethyl)-N-propan-2-ylacetamide

C23H31FN2O4 — CID 118755584

IUPAC2-[1-cyclopentyl-3-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-methoxyethyl)-N-propan-2-ylacetamide
SMILESCOCCN(C(=O)CC1(c2ccccc2F)CC(=O)N(C2CCCC2)C1=O)C(C)C
InChIInChI=1S/C23H31FN2O4/c1-16(2)25(12-13-30-3)20(27)14-23(18-10-6-7-11-19(18)24)15-21(28)26(22(23)29)17-8-4-5-9-17/h6-7,10-11,16-17H,4-5,8-9,12-15H2,1-3H3
InChIKeyVKZGNXXTPSZUDD-UHFFFAOYSA-N
MW418.51 g/mol
LogP3.04
Rot. Bonds8

About 2-[1-cyclopentyl-3-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-methoxyethyl)-N-propan-2-ylacetamide

2-[1-cyclopentyl-3-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-methoxyethyl)-N-propan-2-ylacetamide (PubChem CID 118755584) has the molecular formula C23H31FN2O4 and a molecular weight of 418.51 g/mol. Its IUPAC name is 2-[1-cyclopentyl-3-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-methoxyethyl)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[1-cyclopentyl-3-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-methoxyethyl)-N-propan-2-ylacetamide
PubChem CID118755584
Molecular FormulaC23H31FN2O4
Molecular Weight418.51 g/mol
Exact Mass418.23
IUPAC Name2-[1-cyclopentyl-3-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-methoxyethyl)-N-propan-2-ylacetamide
SMILESCOCCN(C(=O)CC1(c2ccccc2F)CC(=O)N(C2CCCC2)C1=O)C(C)C
InChIInChI=1S/C23H31FN2O4/c1-16(2)25(12-13-30-3)20(27)14-23(18-10-6-7-11-19(18)24)15-21(28)26(22(23)29)17-8-4-5-9-17/h6-7,10-11,16-17H,4-5,8-9,12-15H2,1-3H3
InChIKeyVKZGNXXTPSZUDD-UHFFFAOYSA-N
XLogP3.04
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.51
LogP ≤ 53.04
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-[1-cyclopentyl-3-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-methoxyethyl)-N-propan-2-ylacetamide?
The IUPAC name of 2-[1-cyclopentyl-3-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-methoxyethyl)-N-propan-2-ylacetamide (CID 118755584) is 2-[1-cyclopentyl-3-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-methoxyethyl)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[1-cyclopentyl-3-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-methoxyethyl)-N-propan-2-ylacetamide?
The canonical SMILES for 2-[1-cyclopentyl-3-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-methoxyethyl)-N-propan-2-ylacetamide is COCCN(C(=O)CC1(c2ccccc2F)CC(=O)N(C2CCCC2)C1=O)C(C)C.
What is the InChIKey of 2-[1-cyclopentyl-3-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-methoxyethyl)-N-propan-2-ylacetamide?
The InChIKey is VKZGNXXTPSZUDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31FN2O4/c1-16(2)25(12-13-30-3)20(27)14-23(18-10-6-7-11-19(18)24)15-21(28)26(22(23)29)17-8-4-5-9-17/h6-7,10-11,16-17H,4-5,8-9,12-15H2,1-3H3.
What are the key properties of 2-[1-cyclopentyl-3-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-methoxyethyl)-N-propan-2-ylacetamide?
2-[1-cyclopentyl-3-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-methoxyethyl)-N-propan-2-ylacetamide has a molecular weight of 418.51 g/mol, XLogP of 3.04, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-cyclopentyl-3-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-methoxyethyl)-N-propan-2-ylacetamide is sourced from PubChem (CID 118755584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).