1-(5-bromo-7-methoxy-2,3-dihydroindol-1-yl)ethanone

C11H12BrNO2 — CID 82379295

IUPAC1-(5-bromo-7-methoxy-2,3-dihydroindol-1-yl)ethanone
SMILESCOc1cc(Br)cc2c1N(C(C)=O)CC2
InChIInChI=1S/C11H12BrNO2/c1-7(14)13-4-3-8-5-9(12)6-10(15-2)11(8)13/h5-6H,3-4H2,1-2H3
InChIKeyDJQHBZSQNSSZKU-UHFFFAOYSA-N
MW270.13 g/mol
LogP2.37
Rot. Bonds1

About 1-(5-bromo-7-methoxy-2,3-dihydroindol-1-yl)ethanone

1-(5-bromo-7-methoxy-2,3-dihydroindol-1-yl)ethanone (PubChem CID 82379295) has the molecular formula C11H12BrNO2 and a molecular weight of 270.13 g/mol. Its IUPAC name is 1-(5-bromo-7-methoxy-2,3-dihydroindol-1-yl)ethanone.

Molecular Properties

Compound Name1-(5-bromo-7-methoxy-2,3-dihydroindol-1-yl)ethanone
PubChem CID82379295
Molecular FormulaC11H12BrNO2
Molecular Weight270.13 g/mol
Exact Mass269.01
IUPAC Name1-(5-bromo-7-methoxy-2,3-dihydroindol-1-yl)ethanone
SMILESCOc1cc(Br)cc2c1N(C(C)=O)CC2
InChIInChI=1S/C11H12BrNO2/c1-7(14)13-4-3-8-5-9(12)6-10(15-2)11(8)13/h5-6H,3-4H2,1-2H3
InChIKeyDJQHBZSQNSSZKU-UHFFFAOYSA-N
XLogP2.37
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.13
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(5-bromo-7-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

Related Compounds

1-acetyl-5-bromo-2,3-dihydroindole-7-sulfonyl chloride
CID 45156700
methyl 2-[(1R)-2-[(1-acetyl-5-bromo-2,3-dihydroindol-7-yl)sulfonyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetate
CID 92906038
1-acetyl-5-bromo-N,N-dibutyl-2,3-dihydroindole-7-sulfonamide
CID 3267786
3-[(1-acetyl-5-bromo-2,3-dihydroindol-7-yl)sulfonyl]-N-(4-methoxyphenyl)propanamide
CID 15993238
1-acetyl-5-bromo-N-(3-ethoxypropyl)-2,3-dihydroindole-7-sulfonamide
CID 126478790
1-[5-bromo-7-(2-methylpiperidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone
CID 126478749
3-[(1-acetyl-5-bromo-2,3-dihydroindol-7-yl)sulfonyl]-N,N-diethylpropanamide
CID 4247906
1-acetyl-5-bromo-N-(2-bromo-4-methylphenyl)-2,3-dihydroindole-7-sulfonamide
CID 22421372
1-(5-bromo-4,6-dimethoxy-2,3-dihydroindol-1-yl)ethanone
CID 10614135
1-(5,7-dibromo-2,3-dihydroindol-1-yl)propan-1-one
CID 82490326
N-(1-acetyl-5-bromo-2,3-dihydroindol-7-yl)-2-(2-methylphenyl)acetamide
CID 112536363
1-acetyl-7,9-dimethoxy-3,4-dihydro-2H-1-benzazepin-5-one
CID 82624471

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-7-methoxy-2,3-dihydroindol-1-yl)ethanone?
The IUPAC name of 1-(5-bromo-7-methoxy-2,3-dihydroindol-1-yl)ethanone (CID 82379295) is 1-(5-bromo-7-methoxy-2,3-dihydroindol-1-yl)ethanone.
What is the SMILES notation for 1-(5-bromo-7-methoxy-2,3-dihydroindol-1-yl)ethanone?
The canonical SMILES for 1-(5-bromo-7-methoxy-2,3-dihydroindol-1-yl)ethanone is COc1cc(Br)cc2c1N(C(C)=O)CC2.
What is the InChIKey of 1-(5-bromo-7-methoxy-2,3-dihydroindol-1-yl)ethanone?
The InChIKey is DJQHBZSQNSSZKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO2/c1-7(14)13-4-3-8-5-9(12)6-10(15-2)11(8)13/h5-6H,3-4H2,1-2H3.
What are the key properties of 1-(5-bromo-7-methoxy-2,3-dihydroindol-1-yl)ethanone?
1-(5-bromo-7-methoxy-2,3-dihydroindol-1-yl)ethanone has a molecular weight of 270.13 g/mol, XLogP of 2.37, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-7-methoxy-2,3-dihydroindol-1-yl)ethanone is sourced from PubChem (CID 82379295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).