6-chloro-5-(2-chloroethyl)-1,3-dihydroindol-2-one

C10H9Cl2NO — CID 10609474

IUPAC6-chloro-5-(2-chloroethyl)-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(CCCl)c(Cl)cc2N1
InChIInChI=1S/C10H9Cl2NO/c11-2-1-6-3-7-4-10(14)13-9(7)5-8(6)12/h3,5H,1-2,4H2,(H,13,14)
InChIKeyZTQQXEPZEYIVDK-UHFFFAOYSA-N
MW230.09 g/mol
LogP2.62
Rot. Bonds2

About 6-chloro-5-(2-chloroethyl)-1,3-dihydroindol-2-one

6-chloro-5-(2-chloroethyl)-1,3-dihydroindol-2-one (PubChem CID 10609474) has the molecular formula C10H9Cl2NO and a molecular weight of 230.09 g/mol. Its IUPAC name is 6-chloro-5-(2-chloroethyl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-chloro-5-(2-chloroethyl)-1,3-dihydroindol-2-one
PubChem CID10609474
Molecular FormulaC10H9Cl2NO
Molecular Weight230.09 g/mol
Exact Mass229.01
IUPAC Name6-chloro-5-(2-chloroethyl)-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(CCCl)c(Cl)cc2N1
InChIInChI=1S/C10H9Cl2NO/c11-2-1-6-3-7-4-10(14)13-9(7)5-8(6)12/h3,5H,1-2,4H2,(H,13,14)
InChIKeyZTQQXEPZEYIVDK-UHFFFAOYSA-N
XLogP2.62
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.09
LogP ≤ 52.62
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 6-chloro-5-(2-chloroethyl)-1,3-dihydroindol-2-one?
The IUPAC name of 6-chloro-5-(2-chloroethyl)-1,3-dihydroindol-2-one (CID 10609474) is 6-chloro-5-(2-chloroethyl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-chloro-5-(2-chloroethyl)-1,3-dihydroindol-2-one?
The canonical SMILES for 6-chloro-5-(2-chloroethyl)-1,3-dihydroindol-2-one is O=C1Cc2cc(CCCl)c(Cl)cc2N1.
What is the InChIKey of 6-chloro-5-(2-chloroethyl)-1,3-dihydroindol-2-one?
The InChIKey is ZTQQXEPZEYIVDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2NO/c11-2-1-6-3-7-4-10(14)13-9(7)5-8(6)12/h3,5H,1-2,4H2,(H,13,14).
What are the key properties of 6-chloro-5-(2-chloroethyl)-1,3-dihydroindol-2-one?
6-chloro-5-(2-chloroethyl)-1,3-dihydroindol-2-one has a molecular weight of 230.09 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-(2-chloroethyl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 10609474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).