2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide

C21H20FN3O4 — CID 3958821

IUPAC2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide
SMILESO=C(CN1C(=O)NC2(CCOc3ccccc32)C1=O)NCCc1ccc(F)cc1
InChIInChI=1S/C21H20FN3O4/c22-15-7-5-14(6-8-15)9-11-23-18(26)13-25-19(27)21(24-20(25)28)10-12-29-17-4-2-1-3-16(17)21/h1-8H,9-13H2,(H,23,26)(H,24,28)
InChIKeyLDIKWSAKBGSAEQ-UHFFFAOYSA-N
MW397.41 g/mol
LogP1.71
Rot. Bonds5

About 2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide

2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide (PubChem CID 3958821) has the molecular formula C21H20FN3O4 and a molecular weight of 397.41 g/mol. Its IUPAC name is 2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide
PubChem CID3958821
Molecular FormulaC21H20FN3O4
Molecular Weight397.41 g/mol
Exact Mass397.14
IUPAC Name2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide
SMILESO=C(CN1C(=O)NC2(CCOc3ccccc32)C1=O)NCCc1ccc(F)cc1
InChIInChI=1S/C21H20FN3O4/c22-15-7-5-14(6-8-15)9-11-23-18(26)13-25-19(27)21(24-20(25)28)10-12-29-17-4-2-1-3-16(17)21/h1-8H,9-13H2,(H,23,26)(H,24,28)
InChIKeyLDIKWSAKBGSAEQ-UHFFFAOYSA-N
XLogP1.71
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.41
LogP ≤ 51.71
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-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide?
The IUPAC name of 2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide (CID 3958821) is 2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide?
The canonical SMILES for 2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide is O=C(CN1C(=O)NC2(CCOc3ccccc32)C1=O)NCCc1ccc(F)cc1.
What is the InChIKey of 2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide?
The InChIKey is LDIKWSAKBGSAEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O4/c22-15-7-5-14(6-8-15)9-11-23-18(26)13-25-19(27)21(24-20(25)28)10-12-29-17-4-2-1-3-16(17)21/h1-8H,9-13H2,(H,23,26)(H,24,28).
What are the key properties of 2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide?
2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide has a molecular weight of 397.41 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide is sourced from PubChem (CID 3958821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).