2-[3-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-cyanoethyl)-N-(2-fluorophenyl)acetamide

C21H18ClFN4O3 — CID 43058431

IUPAC2-[3-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-cyanoethyl)-N-(2-fluorophenyl)acetamide
SMILESCC1C(=O)N(CC(=O)N(CCC#N)c2ccccc2F)C(=O)N1c1ccc(Cl)cc1
InChIInChI=1S/C21H18ClFN4O3/c1-14-20(29)26(21(30)27(14)16-9-7-15(22)8-10-16)13-19(28)25(12-4-11-24)18-6-3-2-5-17(18)23/h2-3,5-10,14H,4,12-13H2,1H3
InChIKeyUIOCZHYISMBWCZ-UHFFFAOYSA-N
MW428.85 g/mol
LogP3.58
Rot. Bonds6

About 2-[3-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-cyanoethyl)-N-(2-fluorophenyl)acetamide

2-[3-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-cyanoethyl)-N-(2-fluorophenyl)acetamide (PubChem CID 43058431) has the molecular formula C21H18ClFN4O3 and a molecular weight of 428.85 g/mol. Its IUPAC name is 2-[3-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-cyanoethyl)-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[3-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-cyanoethyl)-N-(2-fluorophenyl)acetamide
PubChem CID43058431
Molecular FormulaC21H18ClFN4O3
Molecular Weight428.85 g/mol
Exact Mass428.11
IUPAC Name2-[3-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-cyanoethyl)-N-(2-fluorophenyl)acetamide
SMILESCC1C(=O)N(CC(=O)N(CCC#N)c2ccccc2F)C(=O)N1c1ccc(Cl)cc1
InChIInChI=1S/C21H18ClFN4O3/c1-14-20(29)26(21(30)27(14)16-9-7-15(22)8-10-16)13-19(28)25(12-4-11-24)18-6-3-2-5-17(18)23/h2-3,5-10,14H,4,12-13H2,1H3
InChIKeyUIOCZHYISMBWCZ-UHFFFAOYSA-N
XLogP3.58
TPSA84.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.85
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[3-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-cyanoethyl)-N-(2-fluorophenyl)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-[3-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-cyanoethyl)-N-(2-fluorophenyl)acetamide?
The IUPAC name of 2-[3-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-cyanoethyl)-N-(2-fluorophenyl)acetamide (CID 43058431) is 2-[3-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-cyanoethyl)-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for 2-[3-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-cyanoethyl)-N-(2-fluorophenyl)acetamide?
The canonical SMILES for 2-[3-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-cyanoethyl)-N-(2-fluorophenyl)acetamide is CC1C(=O)N(CC(=O)N(CCC#N)c2ccccc2F)C(=O)N1c1ccc(Cl)cc1.
What is the InChIKey of 2-[3-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-cyanoethyl)-N-(2-fluorophenyl)acetamide?
The InChIKey is UIOCZHYISMBWCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClFN4O3/c1-14-20(29)26(21(30)27(14)16-9-7-15(22)8-10-16)13-19(28)25(12-4-11-24)18-6-3-2-5-17(18)23/h2-3,5-10,14H,4,12-13H2,1H3.
What are the key properties of 2-[3-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-cyanoethyl)-N-(2-fluorophenyl)acetamide?
2-[3-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-cyanoethyl)-N-(2-fluorophenyl)acetamide has a molecular weight of 428.85 g/mol, XLogP of 3.58, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-cyanoethyl)-N-(2-fluorophenyl)acetamide is sourced from PubChem (CID 43058431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).