3'-[(3-fluoro-4-methoxyphenyl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione

C20H19FN2O3 — CID 4568917

IUPAC3'-[(3-fluoro-4-methoxyphenyl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
SMILESCOc1ccc(CN2C(=O)NC3(CCCc4ccccc43)C2=O)cc1F
InChIInChI=1S/C20H19FN2O3/c1-26-17-9-8-13(11-16(17)21)12-23-18(24)20(22-19(23)25)10-4-6-14-5-2-3-7-15(14)20/h2-3,5,7-9,11H,4,6,10,12H2,1H3,(H,22,25)
InChIKeyHTTPTYDFVUPTET-UHFFFAOYSA-N
MW354.38 g/mol
LogP3.12
Rot. Bonds3

About 3'-[(3-fluoro-4-methoxyphenyl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione

3'-[(3-fluoro-4-methoxyphenyl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione (PubChem CID 4568917) has the molecular formula C20H19FN2O3 and a molecular weight of 354.38 g/mol. Its IUPAC name is 3'-[(3-fluoro-4-methoxyphenyl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione.

Molecular Properties

Compound Name3'-[(3-fluoro-4-methoxyphenyl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
PubChem CID4568917
Molecular FormulaC20H19FN2O3
Molecular Weight354.38 g/mol
Exact Mass354.14
IUPAC Name3'-[(3-fluoro-4-methoxyphenyl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
SMILESCOc1ccc(CN2C(=O)NC3(CCCc4ccccc43)C2=O)cc1F
InChIInChI=1S/C20H19FN2O3/c1-26-17-9-8-13(11-16(17)21)12-23-18(24)20(22-19(23)25)10-4-6-14-5-2-3-7-15(14)20/h2-3,5,7-9,11H,4,6,10,12H2,1H3,(H,22,25)
InChIKeyHTTPTYDFVUPTET-UHFFFAOYSA-N
XLogP3.12
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.38
LogP ≤ 53.12
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 3'-[(3-fluoro-4-methoxyphenyl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione?
The IUPAC name of 3'-[(3-fluoro-4-methoxyphenyl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione (CID 4568917) is 3'-[(3-fluoro-4-methoxyphenyl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione.
What is the SMILES notation for 3'-[(3-fluoro-4-methoxyphenyl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione?
The canonical SMILES for 3'-[(3-fluoro-4-methoxyphenyl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione is COc1ccc(CN2C(=O)NC3(CCCc4ccccc43)C2=O)cc1F.
What is the InChIKey of 3'-[(3-fluoro-4-methoxyphenyl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione?
The InChIKey is HTTPTYDFVUPTET-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O3/c1-26-17-9-8-13(11-16(17)21)12-23-18(24)20(22-19(23)25)10-4-6-14-5-2-3-7-15(14)20/h2-3,5,7-9,11H,4,6,10,12H2,1H3,(H,22,25).
What are the key properties of 3'-[(3-fluoro-4-methoxyphenyl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione?
3'-[(3-fluoro-4-methoxyphenyl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione has a molecular weight of 354.38 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-[(3-fluoro-4-methoxyphenyl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 4568917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).