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

C22H29FN2O3 — CID 45184681

IUPAC2-[1-cyclopentyl-3-(3-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-(2-methylpropyl)acetamide
SMILESCC(C)CN(C)C(=O)CC1(c2cccc(F)c2)CC(=O)N(C2CCCC2)C1=O
InChIInChI=1S/C22H29FN2O3/c1-15(2)14-24(3)19(26)12-22(16-7-6-8-17(23)11-16)13-20(27)25(21(22)28)18-9-4-5-10-18/h6-8,11,15,18H,4-5,9-10,12-14H2,1-3H3
InChIKeyDNLBMWMJQMGHBU-UHFFFAOYSA-N
MW388.48 g/mol
LogP3.27
Rot. Bonds6

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

2-[1-cyclopentyl-3-(3-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-(2-methylpropyl)acetamide (PubChem CID 45184681) has the molecular formula C22H29FN2O3 and a molecular weight of 388.48 g/mol. Its IUPAC name is 2-[1-cyclopentyl-3-(3-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[1-cyclopentyl-3-(3-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-(2-methylpropyl)acetamide
PubChem CID45184681
Molecular FormulaC22H29FN2O3
Molecular Weight388.48 g/mol
Exact Mass388.22
IUPAC Name2-[1-cyclopentyl-3-(3-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-(2-methylpropyl)acetamide
SMILESCC(C)CN(C)C(=O)CC1(c2cccc(F)c2)CC(=O)N(C2CCCC2)C1=O
InChIInChI=1S/C22H29FN2O3/c1-15(2)14-24(3)19(26)12-22(16-7-6-8-17(23)11-16)13-20(27)25(21(22)28)18-9-4-5-10-18/h6-8,11,15,18H,4-5,9-10,12-14H2,1-3H3
InChIKeyDNLBMWMJQMGHBU-UHFFFAOYSA-N
XLogP3.27
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.48
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[1-cyclopentyl-3-(3-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-(2-methylpropyl)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-[1-cyclopentyl-3-(3-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-[1-cyclopentyl-3-(3-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-(2-methylpropyl)acetamide (CID 45184681) is 2-[1-cyclopentyl-3-(3-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[1-cyclopentyl-3-(3-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-[1-cyclopentyl-3-(3-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-(2-methylpropyl)acetamide is CC(C)CN(C)C(=O)CC1(c2cccc(F)c2)CC(=O)N(C2CCCC2)C1=O.
What is the InChIKey of 2-[1-cyclopentyl-3-(3-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-(2-methylpropyl)acetamide?
The InChIKey is DNLBMWMJQMGHBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29FN2O3/c1-15(2)14-24(3)19(26)12-22(16-7-6-8-17(23)11-16)13-20(27)25(21(22)28)18-9-4-5-10-18/h6-8,11,15,18H,4-5,9-10,12-14H2,1-3H3.
What are the key properties of 2-[1-cyclopentyl-3-(3-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-(2-methylpropyl)acetamide?
2-[1-cyclopentyl-3-(3-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-(2-methylpropyl)acetamide has a molecular weight of 388.48 g/mol, XLogP of 3.27, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-cyclopentyl-3-(3-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 45184681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).