6-bromo-3'-[2-(2,4-difluorophenyl)-2-oxoethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione

C19H13BrF2N2O3 — CID 155532127

IUPAC6-bromo-3'-[2-(2,4-difluorophenyl)-2-oxoethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
SMILESO=C(CN1C(=O)NC2(CCc3cc(Br)ccc32)C1=O)c1ccc(F)cc1F
InChIInChI=1S/C19H13BrF2N2O3/c20-11-1-4-14-10(7-11)5-6-19(14)17(26)24(18(27)23-19)9-16(25)13-3-2-12(21)8-15(13)22/h1-4,7-8H,5-6,9H2,(H,23,27)
InChIKeyCNKRKEVCVHPEJI-UHFFFAOYSA-N
MW435.22 g/mol
LogP3.30
Rot. Bonds3

About 6-bromo-3'-[2-(2,4-difluorophenyl)-2-oxoethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione

6-bromo-3'-[2-(2,4-difluorophenyl)-2-oxoethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione (PubChem CID 155532127) has the molecular formula C19H13BrF2N2O3 and a molecular weight of 435.22 g/mol. Its IUPAC name is 6-bromo-3'-[2-(2,4-difluorophenyl)-2-oxoethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione.

Molecular Properties

Compound Name6-bromo-3'-[2-(2,4-difluorophenyl)-2-oxoethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
PubChem CID155532127
Molecular FormulaC19H13BrF2N2O3
Molecular Weight435.22 g/mol
Exact Mass434.01
IUPAC Name6-bromo-3'-[2-(2,4-difluorophenyl)-2-oxoethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
SMILESO=C(CN1C(=O)NC2(CCc3cc(Br)ccc32)C1=O)c1ccc(F)cc1F
InChIInChI=1S/C19H13BrF2N2O3/c20-11-1-4-14-10(7-11)5-6-19(14)17(26)24(18(27)23-19)9-16(25)13-3-2-12(21)8-15(13)22/h1-4,7-8H,5-6,9H2,(H,23,27)
InChIKeyCNKRKEVCVHPEJI-UHFFFAOYSA-N
XLogP3.30
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.22
LogP ≤ 53.30
H-Bond Donors ≤ 51
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 6-bromo-3'-[2-(2,4-difluorophenyl)-2-oxoethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione?
The IUPAC name of 6-bromo-3'-[2-(2,4-difluorophenyl)-2-oxoethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione (CID 155532127) is 6-bromo-3'-[2-(2,4-difluorophenyl)-2-oxoethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione.
What is the SMILES notation for 6-bromo-3'-[2-(2,4-difluorophenyl)-2-oxoethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione?
The canonical SMILES for 6-bromo-3'-[2-(2,4-difluorophenyl)-2-oxoethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione is O=C(CN1C(=O)NC2(CCc3cc(Br)ccc32)C1=O)c1ccc(F)cc1F.
What is the InChIKey of 6-bromo-3'-[2-(2,4-difluorophenyl)-2-oxoethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione?
The InChIKey is CNKRKEVCVHPEJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13BrF2N2O3/c20-11-1-4-14-10(7-11)5-6-19(14)17(26)24(18(27)23-19)9-16(25)13-3-2-12(21)8-15(13)22/h1-4,7-8H,5-6,9H2,(H,23,27).
What are the key properties of 6-bromo-3'-[2-(2,4-difluorophenyl)-2-oxoethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione?
6-bromo-3'-[2-(2,4-difluorophenyl)-2-oxoethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione has a molecular weight of 435.22 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3'-[2-(2,4-difluorophenyl)-2-oxoethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 155532127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).