5-bromo-6-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1H-indole-2,3-dione

C13H12BrF3N2O2 — CID 79343425

IUPAC5-bromo-6-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1H-indole-2,3-dione
SMILESCC(C)N(CC(F)(F)F)c1cc2c(cc1Br)C(=O)C(=O)N2
InChIInChI=1S/C13H12BrF3N2O2/c1-6(2)19(5-13(15,16)17)10-4-9-7(3-8(10)14)11(20)12(21)18-9/h3-4,6H,5H2,1-2H3,(H,18,20,21)
InChIKeyRITYDVSWGJCJKE-UHFFFAOYSA-N
MW365.15 g/mol
LogP3.36
Rot. Bonds3

About 5-bromo-6-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1H-indole-2,3-dione

5-bromo-6-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1H-indole-2,3-dione (PubChem CID 79343425) has the molecular formula C13H12BrF3N2O2 and a molecular weight of 365.15 g/mol. Its IUPAC name is 5-bromo-6-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1H-indole-2,3-dione.

Molecular Properties

Compound Name5-bromo-6-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1H-indole-2,3-dione
PubChem CID79343425
Molecular FormulaC13H12BrF3N2O2
Molecular Weight365.15 g/mol
Exact Mass364.00
IUPAC Name5-bromo-6-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1H-indole-2,3-dione
SMILESCC(C)N(CC(F)(F)F)c1cc2c(cc1Br)C(=O)C(=O)N2
InChIInChI=1S/C13H12BrF3N2O2/c1-6(2)19(5-13(15,16)17)10-4-9-7(3-8(10)14)11(20)12(21)18-9/h3-4,6H,5H2,1-2H3,(H,18,20,21)
InChIKeyRITYDVSWGJCJKE-UHFFFAOYSA-N
XLogP3.36
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.15
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-bromo-6-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1H-indole-2,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1H-indole-2,3-dione?
The IUPAC name of 5-bromo-6-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1H-indole-2,3-dione (CID 79343425) is 5-bromo-6-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1H-indole-2,3-dione.
What is the SMILES notation for 5-bromo-6-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1H-indole-2,3-dione?
The canonical SMILES for 5-bromo-6-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1H-indole-2,3-dione is CC(C)N(CC(F)(F)F)c1cc2c(cc1Br)C(=O)C(=O)N2.
What is the InChIKey of 5-bromo-6-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1H-indole-2,3-dione?
The InChIKey is RITYDVSWGJCJKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrF3N2O2/c1-6(2)19(5-13(15,16)17)10-4-9-7(3-8(10)14)11(20)12(21)18-9/h3-4,6H,5H2,1-2H3,(H,18,20,21).
What are the key properties of 5-bromo-6-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1H-indole-2,3-dione?
5-bromo-6-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1H-indole-2,3-dione has a molecular weight of 365.15 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1H-indole-2,3-dione is sourced from PubChem (CID 79343425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).