2-(6-bromo-5-methoxy-1H-inden-1-yl)acetamide

C12H12BrNO2 — CID 54424617

IUPAC2-(6-bromo-5-methoxy-1H-inden-1-yl)acetamide
SMILESCOc1cc2c(cc1Br)C(CC(N)=O)C=C2
InChIInChI=1S/C12H12BrNO2/c1-16-11-4-7-2-3-8(5-12(14)15)9(7)6-10(11)13/h2-4,6,8H,5H2,1H3,(H2,14,15)
InChIKeyWDEXXCHOXZFYEB-UHFFFAOYSA-N
MW282.14 g/mol
LogP2.44
Rot. Bonds3

About 2-(6-bromo-5-methoxy-1H-inden-1-yl)acetamide

2-(6-bromo-5-methoxy-1H-inden-1-yl)acetamide (PubChem CID 54424617) has the molecular formula C12H12BrNO2 and a molecular weight of 282.14 g/mol. Its IUPAC name is 2-(6-bromo-5-methoxy-1H-inden-1-yl)acetamide.

Molecular Properties

Compound Name2-(6-bromo-5-methoxy-1H-inden-1-yl)acetamide
PubChem CID54424617
Molecular FormulaC12H12BrNO2
Molecular Weight282.14 g/mol
Exact Mass281.01
IUPAC Name2-(6-bromo-5-methoxy-1H-inden-1-yl)acetamide
SMILESCOc1cc2c(cc1Br)C(CC(N)=O)C=C2
InChIInChI=1S/C12H12BrNO2/c1-16-11-4-7-2-3-8(5-12(14)15)9(7)6-10(11)13/h2-4,6,8H,5H2,1H3,(H2,14,15)
InChIKeyWDEXXCHOXZFYEB-UHFFFAOYSA-N
XLogP2.44
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.14
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-1-(4-bromo-2,5-dimethoxyphenyl)ethanone
CID 86014406
4-bromo-5-methoxy-2-methylbenzamide
CID 168987253
methyl 2,4-dibromo-5-methoxybenzoate
CID 155293809
2-(5-bromo-6-methoxy-3H-inden-1-yl)acetamide
CID 54390668
[(2R,3S,4R,5S,6S)-3,4,5-triacetyloxy-6-(4-bromo-2,5-dimethoxyphenyl)oxan-2-yl]methyl acetate
CID 139796412
2-(4-chloro-6-fluoro-1H-inden-1-yl)acetamide
CID 24839437
ethyl 2-(5-bromo-4-methoxy-2-methylphenyl)-2-hydroxyacetate
CID 117487986
N-(2-amino-2-oxoethoxy)-3-bromo-4-methoxybenzamide
CID 112550861
2-amino-N-(2,4-dibromo-5-methoxyphenyl)acetamide
CID 103413499
3-amino-3-(2-bromo-4,5-dimethoxyphenyl)propanamide
CID 54935342
2-amino-1-(5-bromo-2-chloro-4-methoxyphenyl)ethanone
CID 84714845
2-bromo-1-(3-bromo-4-methoxyphenyl)ethanone
CID 2756849

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-5-methoxy-1H-inden-1-yl)acetamide?
The IUPAC name of 2-(6-bromo-5-methoxy-1H-inden-1-yl)acetamide (CID 54424617) is 2-(6-bromo-5-methoxy-1H-inden-1-yl)acetamide.
What is the SMILES notation for 2-(6-bromo-5-methoxy-1H-inden-1-yl)acetamide?
The canonical SMILES for 2-(6-bromo-5-methoxy-1H-inden-1-yl)acetamide is COc1cc2c(cc1Br)C(CC(N)=O)C=C2.
What is the InChIKey of 2-(6-bromo-5-methoxy-1H-inden-1-yl)acetamide?
The InChIKey is WDEXXCHOXZFYEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNO2/c1-16-11-4-7-2-3-8(5-12(14)15)9(7)6-10(11)13/h2-4,6,8H,5H2,1H3,(H2,14,15).
What are the key properties of 2-(6-bromo-5-methoxy-1H-inden-1-yl)acetamide?
2-(6-bromo-5-methoxy-1H-inden-1-yl)acetamide has a molecular weight of 282.14 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-5-methoxy-1H-inden-1-yl)acetamide is sourced from PubChem (CID 54424617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).