2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-(3-iodophenyl)acetamide

C20H18IN3O3 — CID 4810208

IUPAC2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-(3-iodophenyl)acetamide
SMILESO=C(CN1C(=O)NC2(CCCc3ccccc32)C1=O)Nc1cccc(I)c1
InChIInChI=1S/C20H18IN3O3/c21-14-7-3-8-15(11-14)22-17(25)12-24-18(26)20(23-19(24)27)10-4-6-13-5-1-2-9-16(13)20/h1-3,5,7-9,11H,4,6,10,12H2,(H,22,25)(H,23,27)
InChIKeyHJYXMJKJFLITTK-UHFFFAOYSA-N
MW475.29 g/mol
LogP3.01
Rot. Bonds3

About 2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-(3-iodophenyl)acetamide

2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-(3-iodophenyl)acetamide (PubChem CID 4810208) has the molecular formula C20H18IN3O3 and a molecular weight of 475.29 g/mol. Its IUPAC name is 2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-(3-iodophenyl)acetamide.

Molecular Properties

Compound Name2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-(3-iodophenyl)acetamide
PubChem CID4810208
Molecular FormulaC20H18IN3O3
Molecular Weight475.29 g/mol
Exact Mass475.04
IUPAC Name2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-(3-iodophenyl)acetamide
SMILESO=C(CN1C(=O)NC2(CCCc3ccccc32)C1=O)Nc1cccc(I)c1
InChIInChI=1S/C20H18IN3O3/c21-14-7-3-8-15(11-14)22-17(25)12-24-18(26)20(23-19(24)27)10-4-6-13-5-1-2-9-16(13)20/h1-3,5,7-9,11H,4,6,10,12H2,(H,22,25)(H,23,27)
InChIKeyHJYXMJKJFLITTK-UHFFFAOYSA-N
XLogP3.01
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.29
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-(3-fluorophenyl)acetamide
CID 2706138
N-(3-acetylphenyl)-2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetamide
CID 16544882
2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-(3-methoxyphenyl)acetamide
CID 2706003
2-(2',5'-dioxospiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,4'-imidazolidine]-1'-yl)-N-phenylacetamide
CID 42964281
N-(3,4-dichlorophenyl)-2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetamide
CID 4810149
N-(3,4-difluorophenyl)-2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetamide
CID 2706022
2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-(3-fluorophenyl)acetamide
CID 24979383
N-(4-acetamidophenyl)-2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetamide
CID 7168506
2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-(4-phenylphenyl)acetamide
CID 25388429
N-(4-bromophenyl)-2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetamide
CID 3356130
N-(3-chloro-4-methylphenyl)-2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetamide
CID 16559490
N-(2,6-dichlorophenyl)-2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetamide
CID 2473930

Frequently Asked Questions

What is the IUPAC name of 2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-(3-iodophenyl)acetamide?
The IUPAC name of 2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-(3-iodophenyl)acetamide (CID 4810208) is 2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-(3-iodophenyl)acetamide.
What is the SMILES notation for 2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-(3-iodophenyl)acetamide?
The canonical SMILES for 2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-(3-iodophenyl)acetamide is O=C(CN1C(=O)NC2(CCCc3ccccc32)C1=O)Nc1cccc(I)c1.
What is the InChIKey of 2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-(3-iodophenyl)acetamide?
The InChIKey is HJYXMJKJFLITTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18IN3O3/c21-14-7-3-8-15(11-14)22-17(25)12-24-18(26)20(23-19(24)27)10-4-6-13-5-1-2-9-16(13)20/h1-3,5,7-9,11H,4,6,10,12H2,(H,22,25)(H,23,27).
What are the key properties of 2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-(3-iodophenyl)acetamide?
2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-(3-iodophenyl)acetamide has a molecular weight of 475.29 g/mol, XLogP of 3.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-(3-iodophenyl)acetamide is sourced from PubChem (CID 4810208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).