3-(2-chlorophenyl)-N-cyclopropyl-N-[[4-[2-(2,5-dioxopyrrolidin-1-yl)ethoxy]phenyl]methyl]prop-2-enamide

C25H25ClN2O4 — CID 74799821

IUPAC3-(2-chlorophenyl)-N-cyclopropyl-N-[[4-[2-(2,5-dioxopyrrolidin-1-yl)ethoxy]phenyl]methyl]prop-2-enamide
SMILESO=C1CCC(=O)N1CCOc1ccc(CN(C(=O)C=Cc2ccccc2Cl)C2CC2)cc1
InChIInChI=1S/C25H25ClN2O4/c26-22-4-2-1-3-19(22)7-12-25(31)28(20-8-9-20)17-18-5-10-21(11-6-18)32-16-15-27-23(29)13-14-24(27)30/h1-7,10-12,20H,8-9,13-17H2
InChIKeyHBIJDZLMCJZQHM-UHFFFAOYSA-N
MW452.94 g/mol
LogP4.07
Rot. Bonds9

About 3-(2-chlorophenyl)-N-cyclopropyl-N-[[4-[2-(2,5-dioxopyrrolidin-1-yl)ethoxy]phenyl]methyl]prop-2-enamide

3-(2-chlorophenyl)-N-cyclopropyl-N-[[4-[2-(2,5-dioxopyrrolidin-1-yl)ethoxy]phenyl]methyl]prop-2-enamide (PubChem CID 74799821) has the molecular formula C25H25ClN2O4 and a molecular weight of 452.94 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-cyclopropyl-N-[[4-[2-(2,5-dioxopyrrolidin-1-yl)ethoxy]phenyl]methyl]prop-2-enamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-cyclopropyl-N-[[4-[2-(2,5-dioxopyrrolidin-1-yl)ethoxy]phenyl]methyl]prop-2-enamide
PubChem CID74799821
Molecular FormulaC25H25ClN2O4
Molecular Weight452.94 g/mol
Exact Mass452.15
IUPAC Name3-(2-chlorophenyl)-N-cyclopropyl-N-[[4-[2-(2,5-dioxopyrrolidin-1-yl)ethoxy]phenyl]methyl]prop-2-enamide
SMILESO=C1CCC(=O)N1CCOc1ccc(CN(C(=O)C=Cc2ccccc2Cl)C2CC2)cc1
InChIInChI=1S/C25H25ClN2O4/c26-22-4-2-1-3-19(22)7-12-25(31)28(20-8-9-20)17-18-5-10-21(11-6-18)32-16-15-27-23(29)13-14-24(27)30/h1-7,10-12,20H,8-9,13-17H2
InChIKeyHBIJDZLMCJZQHM-UHFFFAOYSA-N
XLogP4.07
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.94
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 3-(2-chlorophenyl)-N-cyclopropyl-N-[[4-[2-(2,5-dioxopyrrolidin-1-yl)ethoxy]phenyl]methyl]prop-2-enamide 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 3-(2-chlorophenyl)-N-cyclopropyl-N-[[4-[2-(2,5-dioxopyrrolidin-1-yl)ethoxy]phenyl]methyl]prop-2-enamide?
The IUPAC name of 3-(2-chlorophenyl)-N-cyclopropyl-N-[[4-[2-(2,5-dioxopyrrolidin-1-yl)ethoxy]phenyl]methyl]prop-2-enamide (CID 74799821) is 3-(2-chlorophenyl)-N-cyclopropyl-N-[[4-[2-(2,5-dioxopyrrolidin-1-yl)ethoxy]phenyl]methyl]prop-2-enamide.
What is the SMILES notation for 3-(2-chlorophenyl)-N-cyclopropyl-N-[[4-[2-(2,5-dioxopyrrolidin-1-yl)ethoxy]phenyl]methyl]prop-2-enamide?
The canonical SMILES for 3-(2-chlorophenyl)-N-cyclopropyl-N-[[4-[2-(2,5-dioxopyrrolidin-1-yl)ethoxy]phenyl]methyl]prop-2-enamide is O=C1CCC(=O)N1CCOc1ccc(CN(C(=O)C=Cc2ccccc2Cl)C2CC2)cc1.
What is the InChIKey of 3-(2-chlorophenyl)-N-cyclopropyl-N-[[4-[2-(2,5-dioxopyrrolidin-1-yl)ethoxy]phenyl]methyl]prop-2-enamide?
The InChIKey is HBIJDZLMCJZQHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN2O4/c26-22-4-2-1-3-19(22)7-12-25(31)28(20-8-9-20)17-18-5-10-21(11-6-18)32-16-15-27-23(29)13-14-24(27)30/h1-7,10-12,20H,8-9,13-17H2.
What are the key properties of 3-(2-chlorophenyl)-N-cyclopropyl-N-[[4-[2-(2,5-dioxopyrrolidin-1-yl)ethoxy]phenyl]methyl]prop-2-enamide?
3-(2-chlorophenyl)-N-cyclopropyl-N-[[4-[2-(2,5-dioxopyrrolidin-1-yl)ethoxy]phenyl]methyl]prop-2-enamide has a molecular weight of 452.94 g/mol, XLogP of 4.07, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-cyclopropyl-N-[[4-[2-(2,5-dioxopyrrolidin-1-yl)ethoxy]phenyl]methyl]prop-2-enamide is sourced from PubChem (CID 74799821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).