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

C22H24FN3O3 — CID 5203298

IUPACN-benzyl-N-ethyl-2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCCN(Cc1ccccc1)C(=O)CN1C(=O)NC(CC)(c2ccc(F)cc2)C1=O
InChIInChI=1S/C22H24FN3O3/c1-3-22(17-10-12-18(23)13-11-17)20(28)26(21(29)24-22)15-19(27)25(4-2)14-16-8-6-5-7-9-16/h5-13H,3-4,14-15H2,1-2H3,(H,24,29)
InChIKeyAAUWLCPQJHKYQM-UHFFFAOYSA-N
MW397.45 g/mol
LogP3.03
Rot. Bonds7

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

N-benzyl-N-ethyl-2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 5203298) has the molecular formula C22H24FN3O3 and a molecular weight of 397.45 g/mol. Its IUPAC name is N-benzyl-N-ethyl-2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
PubChem CID5203298
Molecular FormulaC22H24FN3O3
Molecular Weight397.45 g/mol
Exact Mass397.18
IUPAC NameN-benzyl-N-ethyl-2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCCN(Cc1ccccc1)C(=O)CN1C(=O)NC(CC)(c2ccc(F)cc2)C1=O
InChIInChI=1S/C22H24FN3O3/c1-3-22(17-10-12-18(23)13-11-17)20(28)26(21(29)24-22)15-19(27)25(4-2)14-16-8-6-5-7-9-16/h5-13H,3-4,14-15H2,1-2H3,(H,24,29)
InChIKeyAAUWLCPQJHKYQM-UHFFFAOYSA-N
XLogP3.03
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.45
LogP ≤ 53.03
H-Bond Donors ≤ 51
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-benzyl-N-ethyl-2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-benzyl-N-ethyl-2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide (CID 5203298) is N-benzyl-N-ethyl-2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-benzyl-N-ethyl-2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-benzyl-N-ethyl-2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide is CCN(Cc1ccccc1)C(=O)CN1C(=O)NC(CC)(c2ccc(F)cc2)C1=O.
What is the InChIKey of N-benzyl-N-ethyl-2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The InChIKey is AAUWLCPQJHKYQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O3/c1-3-22(17-10-12-18(23)13-11-17)20(28)26(21(29)24-22)15-19(27)25(4-2)14-16-8-6-5-7-9-16/h5-13H,3-4,14-15H2,1-2H3,(H,24,29).
What are the key properties of N-benzyl-N-ethyl-2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
N-benzyl-N-ethyl-2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 397.45 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 5203298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).