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

C10H9BrClNO — CID 18629269

IUPAC1-(5-bromo-7-chloro-2,3-dihydroindol-1-yl)ethanone
SMILESCC(=O)N1CCc2cc(Br)cc(Cl)c21
InChIInChI=1S/C10H9BrClNO/c1-6(14)13-3-2-7-4-8(11)5-9(12)10(7)13/h4-5H,2-3H2,1H3
InChIKeyPHXWRBVIHDXEBL-UHFFFAOYSA-N
MW274.54 g/mol
LogP3.01
Rot. Bonds

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

1-(5-bromo-7-chloro-2,3-dihydroindol-1-yl)ethanone (PubChem CID 18629269) has the molecular formula C10H9BrClNO and a molecular weight of 274.54 g/mol. Its IUPAC name is 1-(5-bromo-7-chloro-2,3-dihydroindol-1-yl)ethanone.

Molecular Properties

Compound Name1-(5-bromo-7-chloro-2,3-dihydroindol-1-yl)ethanone
PubChem CID18629269
Molecular FormulaC10H9BrClNO
Molecular Weight274.54 g/mol
Exact Mass272.96
IUPAC Name1-(5-bromo-7-chloro-2,3-dihydroindol-1-yl)ethanone
SMILESCC(=O)N1CCc2cc(Br)cc(Cl)c21
InChIInChI=1S/C10H9BrClNO/c1-6(14)13-3-2-7-4-8(11)5-9(12)10(7)13/h4-5H,2-3H2,1H3
InChIKeyPHXWRBVIHDXEBL-UHFFFAOYSA-N
XLogP3.01
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.54
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-7-chloro-2,3-dihydroindol-1-yl)ethanone?
The IUPAC name of 1-(5-bromo-7-chloro-2,3-dihydroindol-1-yl)ethanone (CID 18629269) is 1-(5-bromo-7-chloro-2,3-dihydroindol-1-yl)ethanone.
What is the SMILES notation for 1-(5-bromo-7-chloro-2,3-dihydroindol-1-yl)ethanone?
The canonical SMILES for 1-(5-bromo-7-chloro-2,3-dihydroindol-1-yl)ethanone is CC(=O)N1CCc2cc(Br)cc(Cl)c21.
What is the InChIKey of 1-(5-bromo-7-chloro-2,3-dihydroindol-1-yl)ethanone?
The InChIKey is PHXWRBVIHDXEBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrClNO/c1-6(14)13-3-2-7-4-8(11)5-9(12)10(7)13/h4-5H,2-3H2,1H3.
What are the key properties of 1-(5-bromo-7-chloro-2,3-dihydroindol-1-yl)ethanone?
1-(5-bromo-7-chloro-2,3-dihydroindol-1-yl)ethanone has a molecular weight of 274.54 g/mol, XLogP of 3.01, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-7-chloro-2,3-dihydroindol-1-yl)ethanone is sourced from PubChem (CID 18629269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).