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

C20H18FN3O4 — CID 5171596

IUPAC2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)-N-[(4-fluorophenyl)methyl]acetamide
SMILESO=C(CN1C(=O)NC2(CCOc3ccccc32)C1=O)NCc1ccc(F)cc1
InChIInChI=1S/C20H18FN3O4/c21-14-7-5-13(6-8-14)11-22-17(25)12-24-18(26)20(23-19(24)27)9-10-28-16-4-2-1-3-15(16)20/h1-8H,9-12H2,(H,22,25)(H,23,27)
InChIKeyMNVKMLHQIWVAQI-UHFFFAOYSA-N
MW383.38 g/mol
LogP1.67
Rot. Bonds4

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

2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)-N-[(4-fluorophenyl)methyl]acetamide (PubChem CID 5171596) has the molecular formula C20H18FN3O4 and a molecular weight of 383.38 g/mol. Its IUPAC name is 2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)-N-[(4-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)-N-[(4-fluorophenyl)methyl]acetamide
PubChem CID5171596
Molecular FormulaC20H18FN3O4
Molecular Weight383.38 g/mol
Exact Mass383.13
IUPAC Name2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)-N-[(4-fluorophenyl)methyl]acetamide
SMILESO=C(CN1C(=O)NC2(CCOc3ccccc32)C1=O)NCc1ccc(F)cc1
InChIInChI=1S/C20H18FN3O4/c21-14-7-5-13(6-8-14)11-22-17(25)12-24-18(26)20(23-19(24)27)9-10-28-16-4-2-1-3-15(16)20/h1-8H,9-12H2,(H,22,25)(H,23,27)
InChIKeyMNVKMLHQIWVAQI-UHFFFAOYSA-N
XLogP1.67
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.38
LogP ≤ 51.67
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-[(4-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)-N-[(4-fluorophenyl)methyl]acetamide (CID 5171596) is 2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)-N-[(4-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)-N-[(4-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)-N-[(4-fluorophenyl)methyl]acetamide is O=C(CN1C(=O)NC2(CCOc3ccccc32)C1=O)NCc1ccc(F)cc1.
What is the InChIKey of 2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)-N-[(4-fluorophenyl)methyl]acetamide?
The InChIKey is MNVKMLHQIWVAQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O4/c21-14-7-5-13(6-8-14)11-22-17(25)12-24-18(26)20(23-19(24)27)9-10-28-16-4-2-1-3-15(16)20/h1-8H,9-12H2,(H,22,25)(H,23,27).
What are the key properties of 2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)-N-[(4-fluorophenyl)methyl]acetamide?
2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)-N-[(4-fluorophenyl)methyl]acetamide has a molecular weight of 383.38 g/mol, XLogP of 1.67, 4 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-[(4-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 5171596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).