N-(5-bromo-2-oxo-1,3-dihydroindol-3-yl)-2,2,2-trifluoroacetamide

C10H6BrF3N2O2 — CID 3834870

IUPACN-(5-bromo-2-oxo-1,3-dihydroindol-3-yl)-2,2,2-trifluoroacetamide
SMILESO=C1Nc2ccc(Br)cc2C1NC(=O)C(F)(F)F
InChIInChI=1S/C10H6BrF3N2O2/c11-4-1-2-6-5(3-4)7(8(17)15-6)16-9(18)10(12,13)14/h1-3,7H,(H,15,17)(H,16,18)
InChIKeyGWICUKVBLVFIRD-UHFFFAOYSA-N
MW323.07 g/mol
LogP2.12
Rot. Bonds1

About N-(5-bromo-2-oxo-1,3-dihydroindol-3-yl)-2,2,2-trifluoroacetamide

N-(5-bromo-2-oxo-1,3-dihydroindol-3-yl)-2,2,2-trifluoroacetamide (PubChem CID 3834870) has the molecular formula C10H6BrF3N2O2 and a molecular weight of 323.07 g/mol. Its IUPAC name is N-(5-bromo-2-oxo-1,3-dihydroindol-3-yl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(5-bromo-2-oxo-1,3-dihydroindol-3-yl)-2,2,2-trifluoroacetamide
PubChem CID3834870
Molecular FormulaC10H6BrF3N2O2
Molecular Weight323.07 g/mol
Exact Mass321.96
IUPAC NameN-(5-bromo-2-oxo-1,3-dihydroindol-3-yl)-2,2,2-trifluoroacetamide
SMILESO=C1Nc2ccc(Br)cc2C1NC(=O)C(F)(F)F
InChIInChI=1S/C10H6BrF3N2O2/c11-4-1-2-6-5(3-4)7(8(17)15-6)16-9(18)10(12,13)14/h1-3,7H,(H,15,17)(H,16,18)
InChIKeyGWICUKVBLVFIRD-UHFFFAOYSA-N
XLogP2.12
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.07
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(5-bromo-2-oxo-1,3-dihydroindol-3-yl)-2,2,2-trifluoroacetamide 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 N-(5-bromo-2-oxo-1,3-dihydroindol-3-yl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(5-bromo-2-oxo-1,3-dihydroindol-3-yl)-2,2,2-trifluoroacetamide (CID 3834870) is N-(5-bromo-2-oxo-1,3-dihydroindol-3-yl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(5-bromo-2-oxo-1,3-dihydroindol-3-yl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(5-bromo-2-oxo-1,3-dihydroindol-3-yl)-2,2,2-trifluoroacetamide is O=C1Nc2ccc(Br)cc2C1NC(=O)C(F)(F)F.
What is the InChIKey of N-(5-bromo-2-oxo-1,3-dihydroindol-3-yl)-2,2,2-trifluoroacetamide?
The InChIKey is GWICUKVBLVFIRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrF3N2O2/c11-4-1-2-6-5(3-4)7(8(17)15-6)16-9(18)10(12,13)14/h1-3,7H,(H,15,17)(H,16,18).
What are the key properties of N-(5-bromo-2-oxo-1,3-dihydroindol-3-yl)-2,2,2-trifluoroacetamide?
N-(5-bromo-2-oxo-1,3-dihydroindol-3-yl)-2,2,2-trifluoroacetamide has a molecular weight of 323.07 g/mol, XLogP of 2.12, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-oxo-1,3-dihydroindol-3-yl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 3834870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).