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

C10H7Cl2NO2 — CID 3730946

IUPAC6-chloro-5-(2-chloroacetyl)-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(C(=O)CCl)c(Cl)cc2N1
InChIInChI=1S/C10H7Cl2NO2/c11-4-9(14)6-1-5-2-10(15)13-8(5)3-7(6)12/h1,3H,2,4H2,(H,13,15)
InChIKeyLWWVMDRRHHCTMZ-UHFFFAOYSA-N
MW244.08 g/mol
LogP2.26
Rot. Bonds2

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

6-chloro-5-(2-chloroacetyl)-1,3-dihydroindol-2-one (PubChem CID 3730946) has the molecular formula C10H7Cl2NO2 and a molecular weight of 244.08 g/mol. Its IUPAC name is 6-chloro-5-(2-chloroacetyl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-chloro-5-(2-chloroacetyl)-1,3-dihydroindol-2-one
PubChem CID3730946
Molecular FormulaC10H7Cl2NO2
Molecular Weight244.08 g/mol
Exact Mass242.99
IUPAC Name6-chloro-5-(2-chloroacetyl)-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(C(=O)CCl)c(Cl)cc2N1
InChIInChI=1S/C10H7Cl2NO2/c11-4-9(14)6-1-5-2-10(15)13-8(5)3-7(6)12/h1,3H,2,4H2,(H,13,15)
InChIKeyLWWVMDRRHHCTMZ-UHFFFAOYSA-N
XLogP2.26
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.08
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-chloroacetyl)-1,3-dihydroindol-2-one?
The IUPAC name of 6-chloro-5-(2-chloroacetyl)-1,3-dihydroindol-2-one (CID 3730946) is 6-chloro-5-(2-chloroacetyl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-chloro-5-(2-chloroacetyl)-1,3-dihydroindol-2-one?
The canonical SMILES for 6-chloro-5-(2-chloroacetyl)-1,3-dihydroindol-2-one is O=C1Cc2cc(C(=O)CCl)c(Cl)cc2N1.
What is the InChIKey of 6-chloro-5-(2-chloroacetyl)-1,3-dihydroindol-2-one?
The InChIKey is LWWVMDRRHHCTMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2NO2/c11-4-9(14)6-1-5-2-10(15)13-8(5)3-7(6)12/h1,3H,2,4H2,(H,13,15).
What are the key properties of 6-chloro-5-(2-chloroacetyl)-1,3-dihydroindol-2-one?
6-chloro-5-(2-chloroacetyl)-1,3-dihydroindol-2-one has a molecular weight of 244.08 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-(2-chloroacetyl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 3730946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).