2-[2-(3,4-dichlorophenyl)-2-oxoethyl]isoindole-1,3-dione

C16H9Cl2NO3 — CID 2798487

IUPAC2-[2-(3,4-dichlorophenyl)-2-oxoethyl]isoindole-1,3-dione
SMILESO=C(CN1C(=O)c2ccccc2C1=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H9Cl2NO3/c17-12-6-5-9(7-13(12)18)14(20)8-19-15(21)10-3-1-2-4-11(10)16(19)22/h1-7H,8H2
InChIKeyUHJVPQRAWRMTIG-UHFFFAOYSA-N
MW334.16 g/mol
LogP3.47
Rot. Bonds3

About 2-[2-(3,4-dichlorophenyl)-2-oxoethyl]isoindole-1,3-dione

2-[2-(3,4-dichlorophenyl)-2-oxoethyl]isoindole-1,3-dione (PubChem CID 2798487) has the molecular formula C16H9Cl2NO3 and a molecular weight of 334.16 g/mol. Its IUPAC name is 2-[2-(3,4-dichlorophenyl)-2-oxoethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-(3,4-dichlorophenyl)-2-oxoethyl]isoindole-1,3-dione
PubChem CID2798487
Molecular FormulaC16H9Cl2NO3
Molecular Weight334.16 g/mol
Exact Mass333.00
IUPAC Name2-[2-(3,4-dichlorophenyl)-2-oxoethyl]isoindole-1,3-dione
SMILESO=C(CN1C(=O)c2ccccc2C1=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H9Cl2NO3/c17-12-6-5-9(7-13(12)18)14(20)8-19-15(21)10-3-1-2-4-11(10)16(19)22/h1-7H,8H2
InChIKeyUHJVPQRAWRMTIG-UHFFFAOYSA-N
XLogP3.47
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.16
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-dichlorophenyl)-2-oxoethyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-(3,4-dichlorophenyl)-2-oxoethyl]isoindole-1,3-dione (CID 2798487) is 2-[2-(3,4-dichlorophenyl)-2-oxoethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-(3,4-dichlorophenyl)-2-oxoethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-(3,4-dichlorophenyl)-2-oxoethyl]isoindole-1,3-dione is O=C(CN1C(=O)c2ccccc2C1=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-[2-(3,4-dichlorophenyl)-2-oxoethyl]isoindole-1,3-dione?
The InChIKey is UHJVPQRAWRMTIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9Cl2NO3/c17-12-6-5-9(7-13(12)18)14(20)8-19-15(21)10-3-1-2-4-11(10)16(19)22/h1-7H,8H2.
What are the key properties of 2-[2-(3,4-dichlorophenyl)-2-oxoethyl]isoindole-1,3-dione?
2-[2-(3,4-dichlorophenyl)-2-oxoethyl]isoindole-1,3-dione has a molecular weight of 334.16 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-dichlorophenyl)-2-oxoethyl]isoindole-1,3-dione is sourced from PubChem (CID 2798487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).