2-[(3R)-3-(2-chlorophenyl)-1-cyclopentyl-2,5-dioxopyrrolidin-3-yl]-N-(dicyclopropylmethyl)-N-methylacetamide

C25H31ClN2O3 — CID 42248440

IUPAC2-[(3R)-3-(2-chlorophenyl)-1-cyclopentyl-2,5-dioxopyrrolidin-3-yl]-N-(dicyclopropylmethyl)-N-methylacetamide
SMILESCN(C(=O)C[C@]1(c2ccccc2Cl)CC(=O)N(C2CCCC2)C1=O)C(C1CC1)C1CC1
InChIInChI=1S/C25H31ClN2O3/c1-27(23(16-10-11-16)17-12-13-17)21(29)14-25(19-8-4-5-9-20(19)26)15-22(30)28(24(25)31)18-6-2-3-7-18/h4-5,8-9,16-18,23H,2-3,6-7,10-15H2,1H3/t25-/m1/s1
InChIKeyMLXJMSZMPCOLOB-RUZDIDTESA-N
MW442.99 g/mol
LogP4.32
Rot. Bonds7

About 2-[(3R)-3-(2-chlorophenyl)-1-cyclopentyl-2,5-dioxopyrrolidin-3-yl]-N-(dicyclopropylmethyl)-N-methylacetamide

2-[(3R)-3-(2-chlorophenyl)-1-cyclopentyl-2,5-dioxopyrrolidin-3-yl]-N-(dicyclopropylmethyl)-N-methylacetamide (PubChem CID 42248440) has the molecular formula C25H31ClN2O3 and a molecular weight of 442.99 g/mol. Its IUPAC name is 2-[(3R)-3-(2-chlorophenyl)-1-cyclopentyl-2,5-dioxopyrrolidin-3-yl]-N-(dicyclopropylmethyl)-N-methylacetamide.

Molecular Properties

Compound Name2-[(3R)-3-(2-chlorophenyl)-1-cyclopentyl-2,5-dioxopyrrolidin-3-yl]-N-(dicyclopropylmethyl)-N-methylacetamide
PubChem CID42248440
Molecular FormulaC25H31ClN2O3
Molecular Weight442.99 g/mol
Exact Mass442.20
IUPAC Name2-[(3R)-3-(2-chlorophenyl)-1-cyclopentyl-2,5-dioxopyrrolidin-3-yl]-N-(dicyclopropylmethyl)-N-methylacetamide
SMILESCN(C(=O)C[C@]1(c2ccccc2Cl)CC(=O)N(C2CCCC2)C1=O)C(C1CC1)C1CC1
InChIInChI=1S/C25H31ClN2O3/c1-27(23(16-10-11-16)17-12-13-17)21(29)14-25(19-8-4-5-9-20(19)26)15-22(30)28(24(25)31)18-6-2-3-7-18/h4-5,8-9,16-18,23H,2-3,6-7,10-15H2,1H3/t25-/m1/s1
InChIKeyMLXJMSZMPCOLOB-RUZDIDTESA-N
XLogP4.32
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.99
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(3R)-3-(2-chlorophenyl)-1-cyclopentyl-2,5-dioxopyrrolidin-3-yl]-N-(dicyclopropylmethyl)-N-methylacetamide 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-[(3R)-3-(2-chlorophenyl)-1-cyclopentyl-2,5-dioxopyrrolidin-3-yl]-N-(dicyclopropylmethyl)-N-methylacetamide?
The IUPAC name of 2-[(3R)-3-(2-chlorophenyl)-1-cyclopentyl-2,5-dioxopyrrolidin-3-yl]-N-(dicyclopropylmethyl)-N-methylacetamide (CID 42248440) is 2-[(3R)-3-(2-chlorophenyl)-1-cyclopentyl-2,5-dioxopyrrolidin-3-yl]-N-(dicyclopropylmethyl)-N-methylacetamide.
What is the SMILES notation for 2-[(3R)-3-(2-chlorophenyl)-1-cyclopentyl-2,5-dioxopyrrolidin-3-yl]-N-(dicyclopropylmethyl)-N-methylacetamide?
The canonical SMILES for 2-[(3R)-3-(2-chlorophenyl)-1-cyclopentyl-2,5-dioxopyrrolidin-3-yl]-N-(dicyclopropylmethyl)-N-methylacetamide is CN(C(=O)C[C@]1(c2ccccc2Cl)CC(=O)N(C2CCCC2)C1=O)C(C1CC1)C1CC1.
What is the InChIKey of 2-[(3R)-3-(2-chlorophenyl)-1-cyclopentyl-2,5-dioxopyrrolidin-3-yl]-N-(dicyclopropylmethyl)-N-methylacetamide?
The InChIKey is MLXJMSZMPCOLOB-RUZDIDTESA-N. The full InChI is InChI=1S/C25H31ClN2O3/c1-27(23(16-10-11-16)17-12-13-17)21(29)14-25(19-8-4-5-9-20(19)26)15-22(30)28(24(25)31)18-6-2-3-7-18/h4-5,8-9,16-18,23H,2-3,6-7,10-15H2,1H3/t25-/m1/s1.
What are the key properties of 2-[(3R)-3-(2-chlorophenyl)-1-cyclopentyl-2,5-dioxopyrrolidin-3-yl]-N-(dicyclopropylmethyl)-N-methylacetamide?
2-[(3R)-3-(2-chlorophenyl)-1-cyclopentyl-2,5-dioxopyrrolidin-3-yl]-N-(dicyclopropylmethyl)-N-methylacetamide has a molecular weight of 442.99 g/mol, XLogP of 4.32, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-(2-chlorophenyl)-1-cyclopentyl-2,5-dioxopyrrolidin-3-yl]-N-(dicyclopropylmethyl)-N-methylacetamide is sourced from PubChem (CID 42248440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).