2-(2,3-dichlorophenyl)-3H-isoindol-1-one

C14H9Cl2NO — CID 842632

IUPAC2-(2,3-dichlorophenyl)-3H-isoindol-1-one
SMILESO=C1c2ccccc2CN1c1cccc(Cl)c1Cl
InChIInChI=1S/C14H9Cl2NO/c15-11-6-3-7-12(13(11)16)17-8-9-4-1-2-5-10(9)14(17)18/h1-7H,8H2
InChIKeyBJCAORGAHVLRAL-UHFFFAOYSA-N
MW278.14 g/mol
LogP4.15
Rot. Bonds1

About 2-(2,3-dichlorophenyl)-3H-isoindol-1-one

2-(2,3-dichlorophenyl)-3H-isoindol-1-one (PubChem CID 842632) has the molecular formula C14H9Cl2NO and a molecular weight of 278.14 g/mol. Its IUPAC name is 2-(2,3-dichlorophenyl)-3H-isoindol-1-one.

Molecular Properties

Compound Name2-(2,3-dichlorophenyl)-3H-isoindol-1-one
PubChem CID842632
Molecular FormulaC14H9Cl2NO
Molecular Weight278.14 g/mol
Exact Mass277.01
IUPAC Name2-(2,3-dichlorophenyl)-3H-isoindol-1-one
SMILESO=C1c2ccccc2CN1c1cccc(Cl)c1Cl
InChIInChI=1S/C14H9Cl2NO/c15-11-6-3-7-12(13(11)16)17-8-9-4-1-2-5-10(9)14(17)18/h1-7H,8H2
InChIKeyBJCAORGAHVLRAL-UHFFFAOYSA-N
XLogP4.15
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.14
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichlorophenyl)-3H-isoindol-1-one?
The IUPAC name of 2-(2,3-dichlorophenyl)-3H-isoindol-1-one (CID 842632) is 2-(2,3-dichlorophenyl)-3H-isoindol-1-one.
What is the SMILES notation for 2-(2,3-dichlorophenyl)-3H-isoindol-1-one?
The canonical SMILES for 2-(2,3-dichlorophenyl)-3H-isoindol-1-one is O=C1c2ccccc2CN1c1cccc(Cl)c1Cl.
What is the InChIKey of 2-(2,3-dichlorophenyl)-3H-isoindol-1-one?
The InChIKey is BJCAORGAHVLRAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2NO/c15-11-6-3-7-12(13(11)16)17-8-9-4-1-2-5-10(9)14(17)18/h1-7H,8H2.
What are the key properties of 2-(2,3-dichlorophenyl)-3H-isoindol-1-one?
2-(2,3-dichlorophenyl)-3H-isoindol-1-one has a molecular weight of 278.14 g/mol, XLogP of 4.15, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichlorophenyl)-3H-isoindol-1-one is sourced from PubChem (CID 842632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).