2-bromo-1-(5-iodo-4-methoxy-2,3-dihydroindol-1-yl)ethanone

C11H11BrINO2 — CID 10430838

IUPAC2-bromo-1-(5-iodo-4-methoxy-2,3-dihydroindol-1-yl)ethanone
SMILESCOc1c(I)ccc2c1CCN2C(=O)CBr
InChIInChI=1S/C11H11BrINO2/c1-16-11-7-4-5-14(10(15)6-12)9(7)3-2-8(11)13/h2-3H,4-6H2,1H3
InChIKeyKIHNDXJTMKAHNE-UHFFFAOYSA-N
MW396.02 g/mol
LogP2.58
Rot. Bonds2

About 2-bromo-1-(5-iodo-4-methoxy-2,3-dihydroindol-1-yl)ethanone

2-bromo-1-(5-iodo-4-methoxy-2,3-dihydroindol-1-yl)ethanone (PubChem CID 10430838) has the molecular formula C11H11BrINO2 and a molecular weight of 396.02 g/mol. Its IUPAC name is 2-bromo-1-(5-iodo-4-methoxy-2,3-dihydroindol-1-yl)ethanone.

Molecular Properties

Compound Name2-bromo-1-(5-iodo-4-methoxy-2,3-dihydroindol-1-yl)ethanone
PubChem CID10430838
Molecular FormulaC11H11BrINO2
Molecular Weight396.02 g/mol
Exact Mass394.90
IUPAC Name2-bromo-1-(5-iodo-4-methoxy-2,3-dihydroindol-1-yl)ethanone
SMILESCOc1c(I)ccc2c1CCN2C(=O)CBr
InChIInChI=1S/C11H11BrINO2/c1-16-11-7-4-5-14(10(15)6-12)9(7)3-2-8(11)13/h2-3H,4-6H2,1H3
InChIKeyKIHNDXJTMKAHNE-UHFFFAOYSA-N
XLogP2.58
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.02
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-bromo-1-(5-iodo-4-methoxy-2,3-dihydroindol-1-yl)ethanone 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 2-bromo-1-(5-iodo-4-methoxy-2,3-dihydroindol-1-yl)ethanone?
The IUPAC name of 2-bromo-1-(5-iodo-4-methoxy-2,3-dihydroindol-1-yl)ethanone (CID 10430838) is 2-bromo-1-(5-iodo-4-methoxy-2,3-dihydroindol-1-yl)ethanone.
What is the SMILES notation for 2-bromo-1-(5-iodo-4-methoxy-2,3-dihydroindol-1-yl)ethanone?
The canonical SMILES for 2-bromo-1-(5-iodo-4-methoxy-2,3-dihydroindol-1-yl)ethanone is COc1c(I)ccc2c1CCN2C(=O)CBr.
What is the InChIKey of 2-bromo-1-(5-iodo-4-methoxy-2,3-dihydroindol-1-yl)ethanone?
The InChIKey is KIHNDXJTMKAHNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrINO2/c1-16-11-7-4-5-14(10(15)6-12)9(7)3-2-8(11)13/h2-3H,4-6H2,1H3.
What are the key properties of 2-bromo-1-(5-iodo-4-methoxy-2,3-dihydroindol-1-yl)ethanone?
2-bromo-1-(5-iodo-4-methoxy-2,3-dihydroindol-1-yl)ethanone has a molecular weight of 396.02 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(5-iodo-4-methoxy-2,3-dihydroindol-1-yl)ethanone is sourced from PubChem (CID 10430838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).