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

C11H12BrNO — CID 175837053

IUPAC2-(6-bromo-2,3-dihydro-1H-inden-5-yl)acetamide
SMILESNC(=O)Cc1cc2c(cc1Br)CCC2
InChIInChI=1S/C11H12BrNO/c12-10-5-8-3-1-2-7(8)4-9(10)6-11(13)14/h4-5H,1-3,6H2,(H2,13,14)
InChIKeyOCJNGFWTPBXOEG-UHFFFAOYSA-N
MW254.13 g/mol
LogP1.97
Rot. Bonds2

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

2-(6-bromo-2,3-dihydro-1H-inden-5-yl)acetamide (PubChem CID 175837053) has the molecular formula C11H12BrNO and a molecular weight of 254.13 g/mol. Its IUPAC name is 2-(6-bromo-2,3-dihydro-1H-inden-5-yl)acetamide.

Molecular Properties

Compound Name2-(6-bromo-2,3-dihydro-1H-inden-5-yl)acetamide
PubChem CID175837053
Molecular FormulaC11H12BrNO
Molecular Weight254.13 g/mol
Exact Mass253.01
IUPAC Name2-(6-bromo-2,3-dihydro-1H-inden-5-yl)acetamide
SMILESNC(=O)Cc1cc2c(cc1Br)CCC2
InChIInChI=1S/C11H12BrNO/c12-10-5-8-3-1-2-7(8)4-9(10)6-11(13)14/h4-5H,1-3,6H2,(H2,13,14)
InChIKeyOCJNGFWTPBXOEG-UHFFFAOYSA-N
XLogP1.97
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.13
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-2,3-dihydro-1H-inden-5-yl)acetamide?
The IUPAC name of 2-(6-bromo-2,3-dihydro-1H-inden-5-yl)acetamide (CID 175837053) is 2-(6-bromo-2,3-dihydro-1H-inden-5-yl)acetamide.
What is the SMILES notation for 2-(6-bromo-2,3-dihydro-1H-inden-5-yl)acetamide?
The canonical SMILES for 2-(6-bromo-2,3-dihydro-1H-inden-5-yl)acetamide is NC(=O)Cc1cc2c(cc1Br)CCC2.
What is the InChIKey of 2-(6-bromo-2,3-dihydro-1H-inden-5-yl)acetamide?
The InChIKey is OCJNGFWTPBXOEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO/c12-10-5-8-3-1-2-7(8)4-9(10)6-11(13)14/h4-5H,1-3,6H2,(H2,13,14).
What are the key properties of 2-(6-bromo-2,3-dihydro-1H-inden-5-yl)acetamide?
2-(6-bromo-2,3-dihydro-1H-inden-5-yl)acetamide has a molecular weight of 254.13 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-2,3-dihydro-1H-inden-5-yl)acetamide is sourced from PubChem (CID 175837053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).