2-[2-(2,6-dichlorophenyl)ethyl]isoindole-1,3-dione

C16H11Cl2NO2 — CID 126721012

IUPAC2-[2-(2,6-dichlorophenyl)ethyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCc1c(Cl)cccc1Cl
InChIInChI=1S/C16H11Cl2NO2/c17-13-6-3-7-14(18)12(13)8-9-19-15(20)10-4-1-2-5-11(10)16(19)21/h1-7H,8-9H2
InChIKeyPSVLLSWIFDDCHQ-UHFFFAOYSA-N
MW320.17 g/mol
LogP3.83
Rot. Bonds3

About 2-[2-(2,6-dichlorophenyl)ethyl]isoindole-1,3-dione

2-[2-(2,6-dichlorophenyl)ethyl]isoindole-1,3-dione (PubChem CID 126721012) has the molecular formula C16H11Cl2NO2 and a molecular weight of 320.17 g/mol. Its IUPAC name is 2-[2-(2,6-dichlorophenyl)ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-(2,6-dichlorophenyl)ethyl]isoindole-1,3-dione
PubChem CID126721012
Molecular FormulaC16H11Cl2NO2
Molecular Weight320.17 g/mol
Exact Mass319.02
IUPAC Name2-[2-(2,6-dichlorophenyl)ethyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCc1c(Cl)cccc1Cl
InChIInChI=1S/C16H11Cl2NO2/c17-13-6-3-7-14(18)12(13)8-9-19-15(20)10-4-1-2-5-11(10)16(19)21/h1-7H,8-9H2
InChIKeyPSVLLSWIFDDCHQ-UHFFFAOYSA-N
XLogP3.83
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.17
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2,6-dichlorophenyl)methyl 3-(1,3-dioxoisoindol-2-yl)propanoate
CID 3379267
3-chloro-2-[(1,3-dioxoisoindol-2-yl)methyl]benzaldehyde
CID 172859196
2-[4-(1,3-dioxoisoindol-2-yl)(1,4-13C2)butyl]isoindole-1,3-dione
CID 10784038
2-[2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]ethyl]isoindole-1,3-dione
CID 60622977
2-[2-(4-sulfanylphenyl)ethyl]isoindole-1,3-dione
CID 53469378
2-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]isoindole-1,3-dione
CID 17023423
N-(2,6-dichlorophenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 7290099
2-[2-(3-aminophenyl)ethyl]isoindole-1,3-dione
CID 67219583
2-[(3-chloro-2-methylphenyl)methyl]isoindole-1,3-dione
CID 59323393
2-[2-(4-aminophenyl)ethyl]isoindole-1,3-dione
CID 10849371
2-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]isoindole-1,3-dione;hydrochloride
CID 3088491
2-[2-(2-methyl-1H-indol-3-yl)ethyl]isoindole-1,3-dione
CID 707361

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,6-dichlorophenyl)ethyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-(2,6-dichlorophenyl)ethyl]isoindole-1,3-dione (CID 126721012) is 2-[2-(2,6-dichlorophenyl)ethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-(2,6-dichlorophenyl)ethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-(2,6-dichlorophenyl)ethyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1CCc1c(Cl)cccc1Cl.
What is the InChIKey of 2-[2-(2,6-dichlorophenyl)ethyl]isoindole-1,3-dione?
The InChIKey is PSVLLSWIFDDCHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2NO2/c17-13-6-3-7-14(18)12(13)8-9-19-15(20)10-4-1-2-5-11(10)16(19)21/h1-7H,8-9H2.
What are the key properties of 2-[2-(2,6-dichlorophenyl)ethyl]isoindole-1,3-dione?
2-[2-(2,6-dichlorophenyl)ethyl]isoindole-1,3-dione has a molecular weight of 320.17 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,6-dichlorophenyl)ethyl]isoindole-1,3-dione is sourced from PubChem (CID 126721012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).