5-(4-methoxyphenyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indole-2,3-dione

C23H16F3NO3 — CID 141372248

IUPAC5-(4-methoxyphenyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indole-2,3-dione
SMILESCOc1ccc(-c2ccc3c(c2)C(=O)C(=O)N3Cc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C23H16F3NO3/c1-30-18-9-4-15(5-10-18)16-6-11-20-19(12-16)21(28)22(29)27(20)13-14-2-7-17(8-3-14)23(24,25)26/h2-12H,13H2,1H3
InChIKeySFJYJQXBRNOBST-UHFFFAOYSA-N
MW411.38 g/mol
LogP5.11
Rot. Bonds4

About 5-(4-methoxyphenyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indole-2,3-dione

5-(4-methoxyphenyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indole-2,3-dione (PubChem CID 141372248) has the molecular formula C23H16F3NO3 and a molecular weight of 411.38 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indole-2,3-dione.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indole-2,3-dione
PubChem CID141372248
Molecular FormulaC23H16F3NO3
Molecular Weight411.38 g/mol
Exact Mass411.11
IUPAC Name5-(4-methoxyphenyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indole-2,3-dione
SMILESCOc1ccc(-c2ccc3c(c2)C(=O)C(=O)N3Cc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C23H16F3NO3/c1-30-18-9-4-15(5-10-18)16-6-11-20-19(12-16)21(28)22(29)27(20)13-14-2-7-17(8-3-14)23(24,25)26/h2-12H,13H2,1H3
InChIKeySFJYJQXBRNOBST-UHFFFAOYSA-N
XLogP5.11
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.38
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indole-2,3-dione?
The IUPAC name of 5-(4-methoxyphenyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indole-2,3-dione (CID 141372248) is 5-(4-methoxyphenyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indole-2,3-dione.
What is the SMILES notation for 5-(4-methoxyphenyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indole-2,3-dione?
The canonical SMILES for 5-(4-methoxyphenyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indole-2,3-dione is COc1ccc(-c2ccc3c(c2)C(=O)C(=O)N3Cc2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indole-2,3-dione?
The InChIKey is SFJYJQXBRNOBST-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F3NO3/c1-30-18-9-4-15(5-10-18)16-6-11-20-19(12-16)21(28)22(29)27(20)13-14-2-7-17(8-3-14)23(24,25)26/h2-12H,13H2,1H3.
What are the key properties of 5-(4-methoxyphenyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indole-2,3-dione?
5-(4-methoxyphenyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indole-2,3-dione has a molecular weight of 411.38 g/mol, XLogP of 5.11, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indole-2,3-dione is sourced from PubChem (CID 141372248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).