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

C20H24FN3O3 — CID 46814396

IUPACN-(cyclohexen-1-yl)-N-ethyl-2-[3-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCCN(C(=O)CN1C(=O)C(C)N(c2ccc(F)cc2)C1=O)C1=CCCCC1
InChIInChI=1S/C20H24FN3O3/c1-3-22(16-7-5-4-6-8-16)18(25)13-23-19(26)14(2)24(20(23)27)17-11-9-15(21)10-12-17/h7,9-12,14H,3-6,8,13H2,1-2H3
InChIKeyRDYQNDCWCUIFQY-UHFFFAOYSA-N
MW373.43 g/mol
LogP3.29
Rot. Bonds5

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

N-(cyclohexen-1-yl)-N-ethyl-2-[3-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 46814396) has the molecular formula C20H24FN3O3 and a molecular weight of 373.43 g/mol. Its IUPAC name is N-(cyclohexen-1-yl)-N-ethyl-2-[3-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(cyclohexen-1-yl)-N-ethyl-2-[3-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
PubChem CID46814396
Molecular FormulaC20H24FN3O3
Molecular Weight373.43 g/mol
Exact Mass373.18
IUPAC NameN-(cyclohexen-1-yl)-N-ethyl-2-[3-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCCN(C(=O)CN1C(=O)C(C)N(c2ccc(F)cc2)C1=O)C1=CCCCC1
InChIInChI=1S/C20H24FN3O3/c1-3-22(16-7-5-4-6-8-16)18(25)13-23-19(26)14(2)24(20(23)27)17-11-9-15(21)10-12-17/h7,9-12,14H,3-6,8,13H2,1-2H3
InChIKeyRDYQNDCWCUIFQY-UHFFFAOYSA-N
XLogP3.29
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexen-1-yl)-N-ethyl-2-[3-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-(cyclohexen-1-yl)-N-ethyl-2-[3-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide (CID 46814396) is N-(cyclohexen-1-yl)-N-ethyl-2-[3-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-(cyclohexen-1-yl)-N-ethyl-2-[3-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-(cyclohexen-1-yl)-N-ethyl-2-[3-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide is CCN(C(=O)CN1C(=O)C(C)N(c2ccc(F)cc2)C1=O)C1=CCCCC1.
What is the InChIKey of N-(cyclohexen-1-yl)-N-ethyl-2-[3-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The InChIKey is RDYQNDCWCUIFQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O3/c1-3-22(16-7-5-4-6-8-16)18(25)13-23-19(26)14(2)24(20(23)27)17-11-9-15(21)10-12-17/h7,9-12,14H,3-6,8,13H2,1-2H3.
What are the key properties of N-(cyclohexen-1-yl)-N-ethyl-2-[3-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
N-(cyclohexen-1-yl)-N-ethyl-2-[3-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 373.43 g/mol, XLogP of 3.29, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexen-1-yl)-N-ethyl-2-[3-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 46814396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).