4-bromo-3-(4-ethoxyphenyl)imino-5-methyl-1H-indol-2-one

C17H15BrN2O2 — CID 135403068

IUPAC4-bromo-3-(4-ethoxyphenyl)imino-5-methyl-1H-indol-2-one
SMILESCCOc1ccc(/N=C2\C(=O)Nc3ccc(C)c(Br)c32)cc1
InChIInChI=1S/C17H15BrN2O2/c1-3-22-12-7-5-11(6-8-12)19-16-14-13(20-17(16)21)9-4-10(2)15(14)18/h4-9H,3H2,1-2H3,(H,19,20,21)
InChIKeyTYKCJBIJUVVJIL-UHFFFAOYSA-N
MW359.22 g/mol
LogP4.23
Rot. Bonds3

About 4-bromo-3-(4-ethoxyphenyl)imino-5-methyl-1H-indol-2-one

4-bromo-3-(4-ethoxyphenyl)imino-5-methyl-1H-indol-2-one (PubChem CID 135403068) has the molecular formula C17H15BrN2O2 and a molecular weight of 359.22 g/mol. Its IUPAC name is 4-bromo-3-(4-ethoxyphenyl)imino-5-methyl-1H-indol-2-one.

Molecular Properties

Compound Name4-bromo-3-(4-ethoxyphenyl)imino-5-methyl-1H-indol-2-one
PubChem CID135403068
Molecular FormulaC17H15BrN2O2
Molecular Weight359.22 g/mol
Exact Mass358.03
IUPAC Name4-bromo-3-(4-ethoxyphenyl)imino-5-methyl-1H-indol-2-one
SMILESCCOc1ccc(/N=C2\C(=O)Nc3ccc(C)c(Br)c32)cc1
InChIInChI=1S/C17H15BrN2O2/c1-3-22-12-7-5-11(6-8-12)19-16-14-13(20-17(16)21)9-4-10(2)15(14)18/h4-9H,3H2,1-2H3,(H,19,20,21)
InChIKeyTYKCJBIJUVVJIL-UHFFFAOYSA-N
XLogP4.23
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.22
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 4-bromo-3-(4-ethoxyphenyl)imino-5-methyl-1H-indol-2-one 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 4-bromo-3-(4-ethoxyphenyl)imino-5-methyl-1H-indol-2-one?
The IUPAC name of 4-bromo-3-(4-ethoxyphenyl)imino-5-methyl-1H-indol-2-one (CID 135403068) is 4-bromo-3-(4-ethoxyphenyl)imino-5-methyl-1H-indol-2-one.
What is the SMILES notation for 4-bromo-3-(4-ethoxyphenyl)imino-5-methyl-1H-indol-2-one?
The canonical SMILES for 4-bromo-3-(4-ethoxyphenyl)imino-5-methyl-1H-indol-2-one is CCOc1ccc(/N=C2\C(=O)Nc3ccc(C)c(Br)c32)cc1.
What is the InChIKey of 4-bromo-3-(4-ethoxyphenyl)imino-5-methyl-1H-indol-2-one?
The InChIKey is TYKCJBIJUVVJIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2O2/c1-3-22-12-7-5-11(6-8-12)19-16-14-13(20-17(16)21)9-4-10(2)15(14)18/h4-9H,3H2,1-2H3,(H,19,20,21).
What are the key properties of 4-bromo-3-(4-ethoxyphenyl)imino-5-methyl-1H-indol-2-one?
4-bromo-3-(4-ethoxyphenyl)imino-5-methyl-1H-indol-2-one has a molecular weight of 359.22 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-(4-ethoxyphenyl)imino-5-methyl-1H-indol-2-one is sourced from PubChem (CID 135403068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).