5'-chloro-1'-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-7'-methylspiro[imidazolidine-5,3'-indole]-2,2',4-trione

C19H12ClF4N3O3 — CID 24752295

IUPAC5'-chloro-1'-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-7'-methylspiro[imidazolidine-5,3'-indole]-2,2',4-trione
SMILESCc1cc(Cl)cc2c1N(Cc1ccc(C(F)(F)F)cc1F)C(=O)C21NC(=O)NC1=O
InChIInChI=1S/C19H12ClF4N3O3/c1-8-4-11(20)6-12-14(8)27(16(29)18(12)15(28)25-17(30)26-18)7-9-2-3-10(5-13(9)21)19(22,23)24/h2-6H,7H2,1H3,(H2,25,26,28,30)
InChIKeyKSQBODFRAOPJSU-UHFFFAOYSA-N
MW441.77 g/mol
LogP3.39
Rot. Bonds2

About 5'-chloro-1'-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-7'-methylspiro[imidazolidine-5,3'-indole]-2,2',4-trione

5'-chloro-1'-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-7'-methylspiro[imidazolidine-5,3'-indole]-2,2',4-trione (PubChem CID 24752295) has the molecular formula C19H12ClF4N3O3 and a molecular weight of 441.77 g/mol. Its IUPAC name is 5'-chloro-1'-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-7'-methylspiro[imidazolidine-5,3'-indole]-2,2',4-trione.

Molecular Properties

Compound Name5'-chloro-1'-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-7'-methylspiro[imidazolidine-5,3'-indole]-2,2',4-trione
PubChem CID24752295
Molecular FormulaC19H12ClF4N3O3
Molecular Weight441.77 g/mol
Exact Mass441.05
IUPAC Name5'-chloro-1'-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-7'-methylspiro[imidazolidine-5,3'-indole]-2,2',4-trione
SMILESCc1cc(Cl)cc2c1N(Cc1ccc(C(F)(F)F)cc1F)C(=O)C21NC(=O)NC1=O
InChIInChI=1S/C19H12ClF4N3O3/c1-8-4-11(20)6-12-14(8)27(16(29)18(12)15(28)25-17(30)26-18)7-9-2-3-10(5-13(9)21)19(22,23)24/h2-6H,7H2,1H3,(H2,25,26,28,30)
InChIKeyKSQBODFRAOPJSU-UHFFFAOYSA-N
XLogP3.39
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.77
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5'-chloro-1'-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-7'-methylspiro[imidazolidine-5,3'-indole]-2,2',4-trione?
The IUPAC name of 5'-chloro-1'-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-7'-methylspiro[imidazolidine-5,3'-indole]-2,2',4-trione (CID 24752295) is 5'-chloro-1'-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-7'-methylspiro[imidazolidine-5,3'-indole]-2,2',4-trione.
What is the SMILES notation for 5'-chloro-1'-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-7'-methylspiro[imidazolidine-5,3'-indole]-2,2',4-trione?
The canonical SMILES for 5'-chloro-1'-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-7'-methylspiro[imidazolidine-5,3'-indole]-2,2',4-trione is Cc1cc(Cl)cc2c1N(Cc1ccc(C(F)(F)F)cc1F)C(=O)C21NC(=O)NC1=O.
What is the InChIKey of 5'-chloro-1'-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-7'-methylspiro[imidazolidine-5,3'-indole]-2,2',4-trione?
The InChIKey is KSQBODFRAOPJSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClF4N3O3/c1-8-4-11(20)6-12-14(8)27(16(29)18(12)15(28)25-17(30)26-18)7-9-2-3-10(5-13(9)21)19(22,23)24/h2-6H,7H2,1H3,(H2,25,26,28,30).
What are the key properties of 5'-chloro-1'-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-7'-methylspiro[imidazolidine-5,3'-indole]-2,2',4-trione?
5'-chloro-1'-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-7'-methylspiro[imidazolidine-5,3'-indole]-2,2',4-trione has a molecular weight of 441.77 g/mol, XLogP of 3.39, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5'-chloro-1'-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-7'-methylspiro[imidazolidine-5,3'-indole]-2,2',4-trione is sourced from PubChem (CID 24752295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).