2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(furan-2-ylmethyl)acetamide

C18H18FN3O4 — CID 4804760

IUPAC2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(furan-2-ylmethyl)acetamide
SMILESCCC1(c2ccc(F)cc2)NC(=O)N(CC(=O)NCc2ccco2)C1=O
InChIInChI=1S/C18H18FN3O4/c1-2-18(12-5-7-13(19)8-6-12)16(24)22(17(25)21-18)11-15(23)20-10-14-4-3-9-26-14/h3-9H,2,10-11H2,1H3,(H,20,23)(H,21,25)
InChIKeySHDRLJXZJAXOIB-UHFFFAOYSA-N
MW359.36 g/mol
LogP1.89
Rot. Bonds6

About 2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(furan-2-ylmethyl)acetamide

2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(furan-2-ylmethyl)acetamide (PubChem CID 4804760) has the molecular formula C18H18FN3O4 and a molecular weight of 359.36 g/mol. Its IUPAC name is 2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(furan-2-ylmethyl)acetamide
PubChem CID4804760
Molecular FormulaC18H18FN3O4
Molecular Weight359.36 g/mol
Exact Mass359.13
IUPAC Name2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(furan-2-ylmethyl)acetamide
SMILESCCC1(c2ccc(F)cc2)NC(=O)N(CC(=O)NCc2ccco2)C1=O
InChIInChI=1S/C18H18FN3O4/c1-2-18(12-5-7-13(19)8-6-12)16(24)22(17(25)21-18)11-15(23)20-10-14-4-3-9-26-14/h3-9H,2,10-11H2,1H3,(H,20,23)(H,21,25)
InChIKeySHDRLJXZJAXOIB-UHFFFAOYSA-N
XLogP1.89
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.36
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(furan-2-ylmethyl)acetamide (CID 4804760) is 2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(furan-2-ylmethyl)acetamide is CCC1(c2ccc(F)cc2)NC(=O)N(CC(=O)NCc2ccco2)C1=O.
What is the InChIKey of 2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is SHDRLJXZJAXOIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O4/c1-2-18(12-5-7-13(19)8-6-12)16(24)22(17(25)21-18)11-15(23)20-10-14-4-3-9-26-14/h3-9H,2,10-11H2,1H3,(H,20,23)(H,21,25).
What are the key properties of 2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(furan-2-ylmethyl)acetamide?
2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 359.36 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 4804760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).