5-bromo-3-(4-ethoxyphenyl)imino-7-methyl-1H-indol-2-one

C17H15BrN2O2 — CID 135559696

IUPAC5-bromo-3-(4-ethoxyphenyl)imino-7-methyl-1H-indol-2-one
SMILESCCOc1ccc(/N=C2\C(=O)Nc3c(C)cc(Br)cc32)cc1
InChIInChI=1S/C17H15BrN2O2/c1-3-22-13-6-4-12(5-7-13)19-16-14-9-11(18)8-10(2)15(14)20-17(16)21/h4-9H,3H2,1-2H3,(H,19,20,21)
InChIKeyQNQOMMCIGZNPPL-UHFFFAOYSA-N
MW359.22 g/mol
LogP4.23
Rot. Bonds3

About 5-bromo-3-(4-ethoxyphenyl)imino-7-methyl-1H-indol-2-one

5-bromo-3-(4-ethoxyphenyl)imino-7-methyl-1H-indol-2-one (PubChem CID 135559696) has the molecular formula C17H15BrN2O2 and a molecular weight of 359.22 g/mol. Its IUPAC name is 5-bromo-3-(4-ethoxyphenyl)imino-7-methyl-1H-indol-2-one.

Molecular Properties

Compound Name5-bromo-3-(4-ethoxyphenyl)imino-7-methyl-1H-indol-2-one
PubChem CID135559696
Molecular FormulaC17H15BrN2O2
Molecular Weight359.22 g/mol
Exact Mass358.03
IUPAC Name5-bromo-3-(4-ethoxyphenyl)imino-7-methyl-1H-indol-2-one
SMILESCCOc1ccc(/N=C2\C(=O)Nc3c(C)cc(Br)cc32)cc1
InChIInChI=1S/C17H15BrN2O2/c1-3-22-13-6-4-12(5-7-13)19-16-14-9-11(18)8-10(2)15(14)20-17(16)21/h4-9H,3H2,1-2H3,(H,19,20,21)
InChIKeyQNQOMMCIGZNPPL-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'}

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Related Compounds

5-bromo-3-(4-ethoxyphenyl)imino-1H-indol-2-one
CID 135460924
5-bromo-3-[4-(4-tert-butylphenoxy)phenyl]imino-7-methyl-1H-indol-2-one
CID 135559714
5-bromo-7-methyl-3-(4-naphthalen-1-yloxyphenyl)imino-1H-indol-2-one
CID 135559686
5-bromo-7-methyl-3-(4-nitrophenyl)imino-1H-indol-2-one
CID 135559733
5-bromo-7-ethyl-3-(4-methylphenyl)imino-1H-indol-2-one
CID 135501542
5-bromo-3-(3-chlorophenyl)imino-7-methyl-1H-indol-2-one
CID 135559702
5-bromo-3-(2,5-dimethoxyphenyl)imino-7-methyl-1H-indol-2-one
CID 135559720
3-(4-ethoxyphenyl)imino-1H-indol-2-one
CID 135502764
4-[(5-bromo-2-oxo-1H-indol-3-ylidene)amino]-N-(4-ethoxyphenyl)benzamide
CID 135832490
propan-2-yl 4-[(5-bromo-7-ethyl-2-oxo-1H-indol-3-ylidene)amino]benzoate
CID 135838591
3-(4-methoxyphenyl)imino-7-methyl-1H-indol-2-one
CID 135449508
5-bromo-3-(4-methoxyphenyl)imino-1H-indol-2-one
CID 135400370

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(4-ethoxyphenyl)imino-7-methyl-1H-indol-2-one?
The IUPAC name of 5-bromo-3-(4-ethoxyphenyl)imino-7-methyl-1H-indol-2-one (CID 135559696) is 5-bromo-3-(4-ethoxyphenyl)imino-7-methyl-1H-indol-2-one.
What is the SMILES notation for 5-bromo-3-(4-ethoxyphenyl)imino-7-methyl-1H-indol-2-one?
The canonical SMILES for 5-bromo-3-(4-ethoxyphenyl)imino-7-methyl-1H-indol-2-one is CCOc1ccc(/N=C2\C(=O)Nc3c(C)cc(Br)cc32)cc1.
What is the InChIKey of 5-bromo-3-(4-ethoxyphenyl)imino-7-methyl-1H-indol-2-one?
The InChIKey is QNQOMMCIGZNPPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2O2/c1-3-22-13-6-4-12(5-7-13)19-16-14-9-11(18)8-10(2)15(14)20-17(16)21/h4-9H,3H2,1-2H3,(H,19,20,21).
What are the key properties of 5-bromo-3-(4-ethoxyphenyl)imino-7-methyl-1H-indol-2-one?
5-bromo-3-(4-ethoxyphenyl)imino-7-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 5-bromo-3-(4-ethoxyphenyl)imino-7-methyl-1H-indol-2-one is sourced from PubChem (CID 135559696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).