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

C22H20F3N3O4 — CID 24682895

IUPAC2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide
SMILESO=C(CN1C(=O)NC2(CCCc3ccccc32)C1=O)Nc1ccc(OCC(F)(F)F)cc1
InChIInChI=1S/C22H20F3N3O4/c23-22(24,25)13-32-16-9-7-15(8-10-16)26-18(29)12-28-19(30)21(27-20(28)31)11-3-5-14-4-1-2-6-17(14)21/h1-2,4,6-10H,3,5,11-13H2,(H,26,29)(H,27,31)
InChIKeyCEYLMEJLYLHHRH-UHFFFAOYSA-N
MW447.41 g/mol
LogP3.35
Rot. Bonds5

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

2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide (PubChem CID 24682895) has the molecular formula C22H20F3N3O4 and a molecular weight of 447.41 g/mol. Its IUPAC name is 2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide
PubChem CID24682895
Molecular FormulaC22H20F3N3O4
Molecular Weight447.41 g/mol
Exact Mass447.14
IUPAC Name2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide
SMILESO=C(CN1C(=O)NC2(CCCc3ccccc32)C1=O)Nc1ccc(OCC(F)(F)F)cc1
InChIInChI=1S/C22H20F3N3O4/c23-22(24,25)13-32-16-9-7-15(8-10-16)26-18(29)12-28-19(30)21(27-20(28)31)11-3-5-14-4-1-2-6-17(14)21/h1-2,4,6-10H,3,5,11-13H2,(H,26,29)(H,27,31)
InChIKeyCEYLMEJLYLHHRH-UHFFFAOYSA-N
XLogP3.35
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.41
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-(4-phenoxyphenyl)acetamide
CID 40942076
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-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetamide
CID 2449152
2-(2',5'-dioxospiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,4'-imidazolidine]-1'-yl)-N-phenylacetamide
CID 42964281
2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 40720924
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[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 4810150
N-(3,4-dichlorophenyl)-2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetamide
CID 4810149
2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-(3-fluorophenyl)acetamide
CID 2706138
2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-(6-methoxy-3-pyridinyl)acetamide
CID 24539320

Frequently Asked Questions

What is the IUPAC name of 2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide?
The IUPAC name of 2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide (CID 24682895) is 2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide.
What is the SMILES notation for 2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide?
The canonical SMILES for 2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide is O=C(CN1C(=O)NC2(CCCc3ccccc32)C1=O)Nc1ccc(OCC(F)(F)F)cc1.
What is the InChIKey of 2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide?
The InChIKey is CEYLMEJLYLHHRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N3O4/c23-22(24,25)13-32-16-9-7-15(8-10-16)26-18(29)12-28-19(30)21(27-20(28)31)11-3-5-14-4-1-2-6-17(14)21/h1-2,4,6-10H,3,5,11-13H2,(H,26,29)(H,27,31).
What are the key properties of 2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide?
2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide has a molecular weight of 447.41 g/mol, XLogP of 3.35, 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-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide is sourced from PubChem (CID 24682895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).