N-[(1S)-6-bromo-3-oxo-1,2-dihydroinden-1-yl]acetamide

C11H10BrNO2 — CID 91358406

IUPACN-[(1S)-6-bromo-3-oxo-1,2-dihydroinden-1-yl]acetamide
SMILESCC(=O)N[C@H]1CC(=O)c2ccc(Br)cc21
InChIInChI=1S/C11H10BrNO2/c1-6(14)13-10-5-11(15)8-3-2-7(12)4-9(8)10/h2-4,10H,5H2,1H3,(H,13,14)/t10-/m0/s1
InChIKeyMGBLNGHZDHUTOU-JTQLQIEISA-N
MW268.11 g/mol
LogP2.21
Rot. Bonds1

About N-[(1S)-6-bromo-3-oxo-1,2-dihydroinden-1-yl]acetamide

N-[(1S)-6-bromo-3-oxo-1,2-dihydroinden-1-yl]acetamide (PubChem CID 91358406) has the molecular formula C11H10BrNO2 and a molecular weight of 268.11 g/mol. Its IUPAC name is N-[(1S)-6-bromo-3-oxo-1,2-dihydroinden-1-yl]acetamide.

Molecular Properties

Compound NameN-[(1S)-6-bromo-3-oxo-1,2-dihydroinden-1-yl]acetamide
PubChem CID91358406
Molecular FormulaC11H10BrNO2
Molecular Weight268.11 g/mol
Exact Mass266.99
IUPAC NameN-[(1S)-6-bromo-3-oxo-1,2-dihydroinden-1-yl]acetamide
SMILESCC(=O)N[C@H]1CC(=O)c2ccc(Br)cc21
InChIInChI=1S/C11H10BrNO2/c1-6(14)13-10-5-11(15)8-3-2-7(12)4-9(8)10/h2-4,10H,5H2,1H3,(H,13,14)/t10-/m0/s1
InChIKeyMGBLNGHZDHUTOU-JTQLQIEISA-N
XLogP2.21
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.11
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-6-bromo-3-oxo-1,2-dihydroinden-1-yl]acetamide?
The IUPAC name of N-[(1S)-6-bromo-3-oxo-1,2-dihydroinden-1-yl]acetamide (CID 91358406) is N-[(1S)-6-bromo-3-oxo-1,2-dihydroinden-1-yl]acetamide.
What is the SMILES notation for N-[(1S)-6-bromo-3-oxo-1,2-dihydroinden-1-yl]acetamide?
The canonical SMILES for N-[(1S)-6-bromo-3-oxo-1,2-dihydroinden-1-yl]acetamide is CC(=O)N[C@H]1CC(=O)c2ccc(Br)cc21.
What is the InChIKey of N-[(1S)-6-bromo-3-oxo-1,2-dihydroinden-1-yl]acetamide?
The InChIKey is MGBLNGHZDHUTOU-JTQLQIEISA-N. The full InChI is InChI=1S/C11H10BrNO2/c1-6(14)13-10-5-11(15)8-3-2-7(12)4-9(8)10/h2-4,10H,5H2,1H3,(H,13,14)/t10-/m0/s1.
What are the key properties of N-[(1S)-6-bromo-3-oxo-1,2-dihydroinden-1-yl]acetamide?
N-[(1S)-6-bromo-3-oxo-1,2-dihydroinden-1-yl]acetamide has a molecular weight of 268.11 g/mol, XLogP of 2.21, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-6-bromo-3-oxo-1,2-dihydroinden-1-yl]acetamide is sourced from PubChem (CID 91358406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).