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'}

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Related Compounds

N-(2-cyanoethyl)-N-(2-fluorophenyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide
CID 38905707
N-(2-cyanoethyl)-2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-fluorophenyl)acetamide
CID 46582965
2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(2-cyanoethyl)-N-(2-fluorophenyl)acetamide
CID 8530475
N-[2-(2-chloroanilino)-2-oxoethyl]-2-[3-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide
CID 46606949
2-[4-(4-chloro-2-nitrophenyl)piperazin-1-yl]-N-(2-cyanoethyl)-N-(2-fluorophenyl)acetamide
CID 38516495
2-(4-bromophenyl)sulfanyl-N-(2-cyanoethyl)-N-(2-fluorophenyl)acetamide
CID 8621209
2-(4-bromo-2-chlorophenoxy)-N-(2-cyanoethyl)-N-(2-fluorophenyl)acetamide
CID 7809639
N-(2-cyanoethyl)-2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-N-(2-fluorophenyl)acetamide
CID 47010684
N-cyclopropyl-N-ethyl-2-[(4R)-4-methyl-2,5-dioxo-3-phenylimidazolidin-1-yl]acetamide
CID 39537413
2-[(6-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-(2-cyanoethyl)-N-(2-fluorophenyl)acetamide
CID 30108309
N-(cyclohexen-1-yl)-N-ethyl-2-[3-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 46814396
N-(2-cyanoethyl)-2-(2,4-dimethylphenyl)sulfanyl-N-(2-fluorophenyl)acetamide
CID 8786834

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).