5-bromo-1-[(2-ethoxyphenyl)methyl]indole-2,3-dione

C17H14BrNO3 — CID 18823261

IUPAC5-bromo-1-[(2-ethoxyphenyl)methyl]indole-2,3-dione
SMILESCCOc1ccccc1CN1C(=O)C(=O)c2cc(Br)ccc21
InChIInChI=1S/C17H14BrNO3/c1-2-22-15-6-4-3-5-11(15)10-19-14-8-7-12(18)9-13(14)16(20)17(19)21/h3-9H,2,10H2,1H3
InChIKeyDJJXAFOCUYLUSE-UHFFFAOYSA-N
MW360.21 g/mol
LogP3.58
Rot. Bonds4

About 5-bromo-1-[(2-ethoxyphenyl)methyl]indole-2,3-dione

5-bromo-1-[(2-ethoxyphenyl)methyl]indole-2,3-dione (PubChem CID 18823261) has the molecular formula C17H14BrNO3 and a molecular weight of 360.21 g/mol. Its IUPAC name is 5-bromo-1-[(2-ethoxyphenyl)methyl]indole-2,3-dione.

Molecular Properties

Compound Name5-bromo-1-[(2-ethoxyphenyl)methyl]indole-2,3-dione
PubChem CID18823261
Molecular FormulaC17H14BrNO3
Molecular Weight360.21 g/mol
Exact Mass359.02
IUPAC Name5-bromo-1-[(2-ethoxyphenyl)methyl]indole-2,3-dione
SMILESCCOc1ccccc1CN1C(=O)C(=O)c2cc(Br)ccc21
InChIInChI=1S/C17H14BrNO3/c1-2-22-15-6-4-3-5-11(15)10-19-14-8-7-12(18)9-13(14)16(20)17(19)21/h3-9H,2,10H2,1H3
InChIKeyDJJXAFOCUYLUSE-UHFFFAOYSA-N
XLogP3.58
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.21
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-1-[(2-methoxyphenyl)methyl]indole-2,3-dione
CID 60711521
5-bromo-1-[(2,3-difluorophenyl)methyl]indole-2,3-dione
CID 43658958
1-[(2-methoxyphenyl)methyl]-5-methylindole-2,3-dione
CID 4730255
5,7-dibromo-1-[(2-propoxyphenyl)methyl]indole-2,3-dione
CID 4730312
5-bromo-1-[(2,5-dimethylphenyl)methyl]indole-2,3-dione
CID 3591808
5-bromo-1-[(4-methylphenyl)methyl]indole-2,3-dione
CID 3598956
1-[(5-bromo-2-fluorophenyl)methyl]-5-fluoroindole-2,3-dione
CID 28549088
6-bromo-1-[(2-chlorophenyl)methyl]indole-2,3-dione
CID 29272245
5-bromo-1-[5-(5-bromo-2,3-dioxoindol-1-yl)pentyl]indole-2,3-dione
CID 139227607
1-[(5-bromo-2-fluorophenyl)methyl]-3-(2-ethoxyphenyl)imidazolidine-2,4,5-trione
CID 60593622
5-bromo-1-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]indole-2,3-dione
CID 18823275
5-bromo-1-(2-oxopentyl)indole-2,3-dione
CID 62041410

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-[(2-ethoxyphenyl)methyl]indole-2,3-dione?
The IUPAC name of 5-bromo-1-[(2-ethoxyphenyl)methyl]indole-2,3-dione (CID 18823261) is 5-bromo-1-[(2-ethoxyphenyl)methyl]indole-2,3-dione.
What is the SMILES notation for 5-bromo-1-[(2-ethoxyphenyl)methyl]indole-2,3-dione?
The canonical SMILES for 5-bromo-1-[(2-ethoxyphenyl)methyl]indole-2,3-dione is CCOc1ccccc1CN1C(=O)C(=O)c2cc(Br)ccc21.
What is the InChIKey of 5-bromo-1-[(2-ethoxyphenyl)methyl]indole-2,3-dione?
The InChIKey is DJJXAFOCUYLUSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrNO3/c1-2-22-15-6-4-3-5-11(15)10-19-14-8-7-12(18)9-13(14)16(20)17(19)21/h3-9H,2,10H2,1H3.
What are the key properties of 5-bromo-1-[(2-ethoxyphenyl)methyl]indole-2,3-dione?
5-bromo-1-[(2-ethoxyphenyl)methyl]indole-2,3-dione has a molecular weight of 360.21 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-[(2-ethoxyphenyl)methyl]indole-2,3-dione is sourced from PubChem (CID 18823261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).