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

C19H15Br2N3O4 — CID 25361402

IUPACN-(2,4-dibromophenyl)-2-[(4R)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]acetamide
SMILESO=C(CN1C(=O)N[C@@]2(CCOc3ccccc32)C1=O)Nc1ccc(Br)cc1Br
InChIInChI=1S/C19H15Br2N3O4/c20-11-5-6-14(13(21)9-11)22-16(25)10-24-17(26)19(23-18(24)27)7-8-28-15-4-2-1-3-12(15)19/h1-6,9H,7-8,10H2,(H,22,25)(H,23,27)/t19-/m1/s1
InChIKeyXLAIAIDJMRZNKY-LJQANCHMSA-N
MW509.15 g/mol
LogP3.38
Rot. Bonds3

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

N-(2,4-dibromophenyl)-2-[(4R)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]acetamide (PubChem CID 25361402) has the molecular formula C19H15Br2N3O4 and a molecular weight of 509.15 g/mol. Its IUPAC name is N-(2,4-dibromophenyl)-2-[(4R)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]acetamide.

Molecular Properties

Compound NameN-(2,4-dibromophenyl)-2-[(4R)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]acetamide
PubChem CID25361402
Molecular FormulaC19H15Br2N3O4
Molecular Weight509.15 g/mol
Exact Mass506.94
IUPAC NameN-(2,4-dibromophenyl)-2-[(4R)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]acetamide
SMILESO=C(CN1C(=O)N[C@@]2(CCOc3ccccc32)C1=O)Nc1ccc(Br)cc1Br
InChIInChI=1S/C19H15Br2N3O4/c20-11-5-6-14(13(21)9-11)22-16(25)10-24-17(26)19(23-18(24)27)7-8-28-15-4-2-1-3-12(15)19/h1-6,9H,7-8,10H2,(H,22,25)(H,23,27)/t19-/m1/s1
InChIKeyXLAIAIDJMRZNKY-LJQANCHMSA-N
XLogP3.38
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.15
LogP ≤ 53.38
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-[(4R)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]-N-(2-fluorophenyl)acetamide
CID 42051814
2-[(4S)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]-N-(2,3,4-trifluorophenyl)acetamide
CID 2459892
2-[(4R)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]-N-(2-morpholin-4-ylphenyl)acetamide
CID 40791521
2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)acetic acid
CID 3761688
2-[(4S)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 40791325
2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)-N-quinolin-5-ylacetamide
CID 17440269
N-(4-bromo-2-methylphenyl)-2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide
CID 51447053
2-[(4R)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 2442742
2-[(4R)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 9440312
2-[(4R)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]-N-(2-phenylethyl)acetamide
CID 2416765
2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)-N-(5-methylhexan-2-yl)acetamide
CID 17435318
N-(1,3-benzodioxol-5-ylmethyl)-2-[(4S)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]acetamide
CID 40798867

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dibromophenyl)-2-[(4R)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]acetamide?
The IUPAC name of N-(2,4-dibromophenyl)-2-[(4R)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]acetamide (CID 25361402) is N-(2,4-dibromophenyl)-2-[(4R)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]acetamide.
What is the SMILES notation for N-(2,4-dibromophenyl)-2-[(4R)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]acetamide?
The canonical SMILES for N-(2,4-dibromophenyl)-2-[(4R)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]acetamide is O=C(CN1C(=O)N[C@@]2(CCOc3ccccc32)C1=O)Nc1ccc(Br)cc1Br.
What is the InChIKey of N-(2,4-dibromophenyl)-2-[(4R)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]acetamide?
The InChIKey is XLAIAIDJMRZNKY-LJQANCHMSA-N. The full InChI is InChI=1S/C19H15Br2N3O4/c20-11-5-6-14(13(21)9-11)22-16(25)10-24-17(26)19(23-18(24)27)7-8-28-15-4-2-1-3-12(15)19/h1-6,9H,7-8,10H2,(H,22,25)(H,23,27)/t19-/m1/s1.
What are the key properties of N-(2,4-dibromophenyl)-2-[(4R)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]acetamide?
N-(2,4-dibromophenyl)-2-[(4R)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]acetamide has a molecular weight of 509.15 g/mol, XLogP of 3.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dibromophenyl)-2-[(4R)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]acetamide is sourced from PubChem (CID 25361402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).