N-[1-(3-bromophenyl)cyclobutyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide

C23H22BrN3O3 — CID 55982957

IUPACN-[1-(3-bromophenyl)cyclobutyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide
SMILESO=C(CN1C(=O)NC2(CCc3ccccc32)C1=O)NC1(c2cccc(Br)c2)CCC1
InChIInChI=1S/C23H22BrN3O3/c24-17-7-3-6-16(13-17)22(10-4-11-22)25-19(28)14-27-20(29)23(26-21(27)30)12-9-15-5-1-2-8-18(15)23/h1-3,5-8,13H,4,9-12,14H2,(H,25,28)(H,26,30)
InChIKeyULARNYOVGWPRKC-UHFFFAOYSA-N
MW468.35 g/mol
LogP3.34
Rot. Bonds4

About N-[1-(3-bromophenyl)cyclobutyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide

N-[1-(3-bromophenyl)cyclobutyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide (PubChem CID 55982957) has the molecular formula C23H22BrN3O3 and a molecular weight of 468.35 g/mol. Its IUPAC name is N-[1-(3-bromophenyl)cyclobutyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide.

Molecular Properties

Compound NameN-[1-(3-bromophenyl)cyclobutyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide
PubChem CID55982957
Molecular FormulaC23H22BrN3O3
Molecular Weight468.35 g/mol
Exact Mass467.08
IUPAC NameN-[1-(3-bromophenyl)cyclobutyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide
SMILESO=C(CN1C(=O)NC2(CCc3ccccc32)C1=O)NC1(c2cccc(Br)c2)CCC1
InChIInChI=1S/C23H22BrN3O3/c24-17-7-3-6-16(13-17)22(10-4-11-22)25-19(28)14-27-20(29)23(26-21(27)30)12-9-15-5-1-2-8-18(15)23/h1-3,5-8,13H,4,9-12,14H2,(H,25,28)(H,26,30)
InChIKeyULARNYOVGWPRKC-UHFFFAOYSA-N
XLogP3.34
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.35
LogP ≤ 53.34
H-Bond Donors ≤ 52
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-[1-(3-bromophenyl)cyclobutyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide?
The IUPAC name of N-[1-(3-bromophenyl)cyclobutyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide (CID 55982957) is N-[1-(3-bromophenyl)cyclobutyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide.
What is the SMILES notation for N-[1-(3-bromophenyl)cyclobutyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide?
The canonical SMILES for N-[1-(3-bromophenyl)cyclobutyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide is O=C(CN1C(=O)NC2(CCc3ccccc32)C1=O)NC1(c2cccc(Br)c2)CCC1.
What is the InChIKey of N-[1-(3-bromophenyl)cyclobutyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide?
The InChIKey is ULARNYOVGWPRKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22BrN3O3/c24-17-7-3-6-16(13-17)22(10-4-11-22)25-19(28)14-27-20(29)23(26-21(27)30)12-9-15-5-1-2-8-18(15)23/h1-3,5-8,13H,4,9-12,14H2,(H,25,28)(H,26,30).
What are the key properties of N-[1-(3-bromophenyl)cyclobutyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide?
N-[1-(3-bromophenyl)cyclobutyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide has a molecular weight of 468.35 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-bromophenyl)cyclobutyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide is sourced from PubChem (CID 55982957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).