2-chloro-1-(5-chloro-1H-indol-2-yl)ethanone

C10H7Cl2NO — CID 118140831

IUPAC2-chloro-1-(5-chloro-1H-indol-2-yl)ethanone
SMILESO=C(CCl)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C10H7Cl2NO/c11-5-10(14)9-4-6-3-7(12)1-2-8(6)13-9/h1-4,13H,5H2
InChIKeyZQBAZIHPFUEWPX-UHFFFAOYSA-N
MW228.08 g/mol
LogP3.24
Rot. Bonds2

About 2-chloro-1-(5-chloro-1H-indol-2-yl)ethanone

2-chloro-1-(5-chloro-1H-indol-2-yl)ethanone (PubChem CID 118140831) has the molecular formula C10H7Cl2NO and a molecular weight of 228.08 g/mol. Its IUPAC name is 2-chloro-1-(5-chloro-1H-indol-2-yl)ethanone.

Molecular Properties

Compound Name2-chloro-1-(5-chloro-1H-indol-2-yl)ethanone
PubChem CID118140831
Molecular FormulaC10H7Cl2NO
Molecular Weight228.08 g/mol
Exact Mass226.99
IUPAC Name2-chloro-1-(5-chloro-1H-indol-2-yl)ethanone
SMILESO=C(CCl)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C10H7Cl2NO/c11-5-10(14)9-4-6-3-7(12)1-2-8(6)13-9/h1-4,13H,5H2
InChIKeyZQBAZIHPFUEWPX-UHFFFAOYSA-N
XLogP3.24
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.08
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(5-chloro-1H-indol-2-yl)ethanone?
The IUPAC name of 2-chloro-1-(5-chloro-1H-indol-2-yl)ethanone (CID 118140831) is 2-chloro-1-(5-chloro-1H-indol-2-yl)ethanone.
What is the SMILES notation for 2-chloro-1-(5-chloro-1H-indol-2-yl)ethanone?
The canonical SMILES for 2-chloro-1-(5-chloro-1H-indol-2-yl)ethanone is O=C(CCl)c1cc2cc(Cl)ccc2[nH]1.
What is the InChIKey of 2-chloro-1-(5-chloro-1H-indol-2-yl)ethanone?
The InChIKey is ZQBAZIHPFUEWPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2NO/c11-5-10(14)9-4-6-3-7(12)1-2-8(6)13-9/h1-4,13H,5H2.
What are the key properties of 2-chloro-1-(5-chloro-1H-indol-2-yl)ethanone?
2-chloro-1-(5-chloro-1H-indol-2-yl)ethanone has a molecular weight of 228.08 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(5-chloro-1H-indol-2-yl)ethanone is sourced from PubChem (CID 118140831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).