2-(5-bromo-6-methoxy-3H-inden-1-yl)acetamide

C12H12BrNO2 — CID 54390668

IUPAC2-(5-bromo-6-methoxy-3H-inden-1-yl)acetamide
SMILESCOc1cc2c(cc1Br)CC=C2CC(N)=O
InChIInChI=1S/C12H12BrNO2/c1-16-11-6-9-7(4-10(11)13)2-3-8(9)5-12(14)15/h3-4,6H,2,5H2,1H3,(H2,14,15)
InChIKeyVGJYOWKDFAINII-UHFFFAOYSA-N
MW282.14 g/mol
LogP2.27
Rot. Bonds3

About 2-(5-bromo-6-methoxy-3H-inden-1-yl)acetamide

2-(5-bromo-6-methoxy-3H-inden-1-yl)acetamide (PubChem CID 54390668) has the molecular formula C12H12BrNO2 and a molecular weight of 282.14 g/mol. Its IUPAC name is 2-(5-bromo-6-methoxy-3H-inden-1-yl)acetamide.

Molecular Properties

Compound Name2-(5-bromo-6-methoxy-3H-inden-1-yl)acetamide
PubChem CID54390668
Molecular FormulaC12H12BrNO2
Molecular Weight282.14 g/mol
Exact Mass281.01
IUPAC Name2-(5-bromo-6-methoxy-3H-inden-1-yl)acetamide
SMILESCOc1cc2c(cc1Br)CC=C2CC(N)=O
InChIInChI=1S/C12H12BrNO2/c1-16-11-6-9-7(4-10(11)13)2-3-8(9)5-12(14)15/h3-4,6H,2,5H2,1H3,(H2,14,15)
InChIKeyVGJYOWKDFAINII-UHFFFAOYSA-N
XLogP2.27
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 ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;2-(5-methoxy-3H-inden-1-yl)acetic acid
CID 142209991
4-bromo-5-methoxy-2-methylbenzamide
CID 168987253
1-bromo-5-ethyl-2,4-dimethoxybenzene
CID 58764118
2-amino-N-(2,4-dibromo-5-methoxyphenyl)acetamide
CID 103413499
3-amino-3-(2-bromo-4,5-dimethoxyphenyl)propanamide
CID 54935342
methyl 2,4-dibromo-5-methoxybenzoate
CID 155293809
1-amino-2-(4-bromo-2,5-dimethoxyphenyl)ethane-1,1-diol
CID 167477101
1-(5-bromo-6-methoxy-1,3-dihydroisoindol-2-yl)hexan-1-one
CID 171058611
N-(2-amino-2-oxoethyl)-3-bromo-4-methoxy-N-methylbenzamide
CID 47210346
4-amino-1-(3-bromo-4-methoxyphenyl)-3-methylpentan-2-one
CID 116612395
2-(6-bromo-2,3-dihydro-1H-inden-5-yl)acetamide
CID 175837053
2-(6-bromo-5-methoxy-1H-inden-1-yl)acetamide
CID 54424617

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-6-methoxy-3H-inden-1-yl)acetamide?
The IUPAC name of 2-(5-bromo-6-methoxy-3H-inden-1-yl)acetamide (CID 54390668) is 2-(5-bromo-6-methoxy-3H-inden-1-yl)acetamide.
What is the SMILES notation for 2-(5-bromo-6-methoxy-3H-inden-1-yl)acetamide?
The canonical SMILES for 2-(5-bromo-6-methoxy-3H-inden-1-yl)acetamide is COc1cc2c(cc1Br)CC=C2CC(N)=O.
What is the InChIKey of 2-(5-bromo-6-methoxy-3H-inden-1-yl)acetamide?
The InChIKey is VGJYOWKDFAINII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNO2/c1-16-11-6-9-7(4-10(11)13)2-3-8(9)5-12(14)15/h3-4,6H,2,5H2,1H3,(H2,14,15).
What are the key properties of 2-(5-bromo-6-methoxy-3H-inden-1-yl)acetamide?
2-(5-bromo-6-methoxy-3H-inden-1-yl)acetamide has a molecular weight of 282.14 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-6-methoxy-3H-inden-1-yl)acetamide is sourced from PubChem (CID 54390668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).