2-chloro-1-(4,5-dichloro-2,3-dihydroindol-1-yl)ethanone

C10H8Cl3NO — CID 167920399

IUPAC2-chloro-1-(4,5-dichloro-2,3-dihydroindol-1-yl)ethanone
SMILESO=C(CCl)N1CCc2c1ccc(Cl)c2Cl
InChIInChI=1S/C10H8Cl3NO/c11-5-9(15)14-4-3-6-8(14)2-1-7(12)10(6)13/h1-2H,3-5H2
InChIKeyRXTXIQOJROUICS-UHFFFAOYSA-N
MW264.54 g/mol
LogP3.12
Rot. Bonds1

About 2-chloro-1-(4,5-dichloro-2,3-dihydroindol-1-yl)ethanone

2-chloro-1-(4,5-dichloro-2,3-dihydroindol-1-yl)ethanone (PubChem CID 167920399) has the molecular formula C10H8Cl3NO and a molecular weight of 264.54 g/mol. Its IUPAC name is 2-chloro-1-(4,5-dichloro-2,3-dihydroindol-1-yl)ethanone.

Molecular Properties

Compound Name2-chloro-1-(4,5-dichloro-2,3-dihydroindol-1-yl)ethanone
PubChem CID167920399
Molecular FormulaC10H8Cl3NO
Molecular Weight264.54 g/mol
Exact Mass262.97
IUPAC Name2-chloro-1-(4,5-dichloro-2,3-dihydroindol-1-yl)ethanone
SMILESO=C(CCl)N1CCc2c1ccc(Cl)c2Cl
InChIInChI=1S/C10H8Cl3NO/c11-5-9(15)14-4-3-6-8(14)2-1-7(12)10(6)13/h1-2H,3-5H2
InChIKeyRXTXIQOJROUICS-UHFFFAOYSA-N
XLogP3.12
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.54
LogP ≤ 53.12
H-Bond Donors ≤ 50
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-(4,5-dichloro-2,3-dihydroindol-1-yl)ethanone?
The IUPAC name of 2-chloro-1-(4,5-dichloro-2,3-dihydroindol-1-yl)ethanone (CID 167920399) is 2-chloro-1-(4,5-dichloro-2,3-dihydroindol-1-yl)ethanone.
What is the SMILES notation for 2-chloro-1-(4,5-dichloro-2,3-dihydroindol-1-yl)ethanone?
The canonical SMILES for 2-chloro-1-(4,5-dichloro-2,3-dihydroindol-1-yl)ethanone is O=C(CCl)N1CCc2c1ccc(Cl)c2Cl.
What is the InChIKey of 2-chloro-1-(4,5-dichloro-2,3-dihydroindol-1-yl)ethanone?
The InChIKey is RXTXIQOJROUICS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl3NO/c11-5-9(15)14-4-3-6-8(14)2-1-7(12)10(6)13/h1-2H,3-5H2.
What are the key properties of 2-chloro-1-(4,5-dichloro-2,3-dihydroindol-1-yl)ethanone?
2-chloro-1-(4,5-dichloro-2,3-dihydroindol-1-yl)ethanone has a molecular weight of 264.54 g/mol, XLogP of 3.12, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(4,5-dichloro-2,3-dihydroindol-1-yl)ethanone is sourced from PubChem (CID 167920399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).