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

C16H13BrN2O2 — CID 135460924

IUPAC5-bromo-3-(4-ethoxyphenyl)imino-1H-indol-2-one
SMILESCCOc1ccc(/N=C2\C(=O)Nc3ccc(Br)cc32)cc1
InChIInChI=1S/C16H13BrN2O2/c1-2-21-12-6-4-11(5-7-12)18-15-13-9-10(17)3-8-14(13)19-16(15)20/h3-9H,2H2,1H3,(H,18,19,20)
InChIKeySPAVOUPIQVPGEV-UHFFFAOYSA-N
MW345.20 g/mol
LogP3.92
Rot. Bonds3

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

5-bromo-3-(4-ethoxyphenyl)imino-1H-indol-2-one (PubChem CID 135460924) has the molecular formula C16H13BrN2O2 and a molecular weight of 345.20 g/mol. Its IUPAC name is 5-bromo-3-(4-ethoxyphenyl)imino-1H-indol-2-one.

Molecular Properties

Compound Name5-bromo-3-(4-ethoxyphenyl)imino-1H-indol-2-one
PubChem CID135460924
Molecular FormulaC16H13BrN2O2
Molecular Weight345.20 g/mol
Exact Mass344.02
IUPAC Name5-bromo-3-(4-ethoxyphenyl)imino-1H-indol-2-one
SMILESCCOc1ccc(/N=C2\C(=O)Nc3ccc(Br)cc32)cc1
InChIInChI=1S/C16H13BrN2O2/c1-2-21-12-6-4-11(5-7-12)18-15-13-9-10(17)3-8-14(13)19-16(15)20/h3-9H,2H2,1H3,(H,18,19,20)
InChIKeySPAVOUPIQVPGEV-UHFFFAOYSA-N
XLogP3.92
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.20
LogP ≤ 53.92
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

4-[(5-bromo-2-oxo-1H-indol-3-ylidene)amino]-N-(4-ethoxyphenyl)benzamide
CID 135832490
5-bromo-3-(4-methoxyphenyl)imino-1H-indol-2-one
CID 135400370
3-(4-ethoxyphenyl)imino-1H-indol-2-one
CID 135502764
5-bromo-3-(4-ethoxyphenyl)imino-7-methyl-1H-indol-2-one
CID 135559696
5-bromo-3-(4-fluorophenyl)imino-1H-indol-2-one
CID 135559321
butyl 4-[(5-bromo-2-oxo-1H-indol-3-ylidene)amino]benzoate
CID 135559310
propan-2-yl 4-[(5-bromo-2-oxo-1H-indol-3-ylidene)amino]benzoate
CID 135559304
5-methyl-3-[4-(4-methylphenoxy)phenyl]imino-1H-indol-2-one
CID 135559351
5-bromo-3-(2-methoxyphenyl)imino-1H-indol-2-one
CID 135458707
2-[(Z)-(5-ethoxy-2-oxo-1H-indol-3-ylidene)amino]isoindole-1,3-dione
CID 135455158
4-[(5-bromo-2-oxo-1H-indol-3-ylidene)amino]-N-(5,6-dimethoxypyrimidin-4-yl)benzenesulfonamide
CID 135506880
(5E)-5-[(5-bromo-2-ethoxyphenyl)methylidene]-2-(4-ethoxyphenyl)imino-1,3-thiazolidin-4-one
CID 137139116

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(4-ethoxyphenyl)imino-1H-indol-2-one?
The IUPAC name of 5-bromo-3-(4-ethoxyphenyl)imino-1H-indol-2-one (CID 135460924) is 5-bromo-3-(4-ethoxyphenyl)imino-1H-indol-2-one.
What is the SMILES notation for 5-bromo-3-(4-ethoxyphenyl)imino-1H-indol-2-one?
The canonical SMILES for 5-bromo-3-(4-ethoxyphenyl)imino-1H-indol-2-one is CCOc1ccc(/N=C2\C(=O)Nc3ccc(Br)cc32)cc1.
What is the InChIKey of 5-bromo-3-(4-ethoxyphenyl)imino-1H-indol-2-one?
The InChIKey is SPAVOUPIQVPGEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2O2/c1-2-21-12-6-4-11(5-7-12)18-15-13-9-10(17)3-8-14(13)19-16(15)20/h3-9H,2H2,1H3,(H,18,19,20).
What are the key properties of 5-bromo-3-(4-ethoxyphenyl)imino-1H-indol-2-one?
5-bromo-3-(4-ethoxyphenyl)imino-1H-indol-2-one has a molecular weight of 345.20 g/mol, XLogP of 3.92, 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-1H-indol-2-one is sourced from PubChem (CID 135460924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).