2-[2-(2,4-dichlorophenyl)-2-oxoethyl]-3H-isoindol-1-one

C16H11Cl2NO2 — CID 62024728

IUPAC2-[2-(2,4-dichlorophenyl)-2-oxoethyl]-3H-isoindol-1-one
SMILESO=C(CN1Cc2ccccc2C1=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H11Cl2NO2/c17-11-5-6-13(14(18)7-11)15(20)9-19-8-10-3-1-2-4-12(10)16(19)21/h1-7H,8-9H2
InChIKeyIUCYBGMEXZLNDS-UHFFFAOYSA-N
MW320.18 g/mol
LogP3.83
Rot. Bonds3

About 2-[2-(2,4-dichlorophenyl)-2-oxoethyl]-3H-isoindol-1-one

2-[2-(2,4-dichlorophenyl)-2-oxoethyl]-3H-isoindol-1-one (PubChem CID 62024728) has the molecular formula C16H11Cl2NO2 and a molecular weight of 320.18 g/mol. Its IUPAC name is 2-[2-(2,4-dichlorophenyl)-2-oxoethyl]-3H-isoindol-1-one.

Molecular Properties

Compound Name2-[2-(2,4-dichlorophenyl)-2-oxoethyl]-3H-isoindol-1-one
PubChem CID62024728
Molecular FormulaC16H11Cl2NO2
Molecular Weight320.18 g/mol
Exact Mass319.02
IUPAC Name2-[2-(2,4-dichlorophenyl)-2-oxoethyl]-3H-isoindol-1-one
SMILESO=C(CN1Cc2ccccc2C1=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H11Cl2NO2/c17-11-5-6-13(14(18)7-11)15(20)9-19-8-10-3-1-2-4-12(10)16(19)21/h1-7H,8-9H2
InChIKeyIUCYBGMEXZLNDS-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 ≤ 500320.18
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(4-chlorophenyl)-2-oxoethyl]-3H-isoindol-1-one
CID 62023062
2-[2-(3,4-dimethylphenyl)-2-oxoethyl]-3H-isoindol-1-one
CID 62022879
2-(2-oxo-2-thiophen-2-ylethyl)-3H-isoindol-1-one
CID 62023811
(2,3,4,5,6-pentafluorophenyl) 2-(3-oxo-1H-isoindol-2-yl)acetate
CID 87806330
1-[2-(2,5-dichlorophenyl)-2-oxoethyl]-4-ethylpiperazine-2,5-dione
CID 79936015
4-[2-(2,4-dichlorophenyl)-2-oxoethyl]-1,4-oxazepan-5-one
CID 112738938
N-(2-fluorophenyl)-2-(3-oxo-1H-isoindol-2-yl)acetamide
CID 20905924
methyl 3-chloro-2-fluoro-5-[[2-(3-oxo-1H-isoindol-2-yl)acetyl]amino]benzoate
CID 154794106
2-(aminomethyl)-3H-isoindol-1-one
CID 143012246
[2-(2,4-dichlorophenyl)-2-oxoethyl] (2R)-2-(1,3-dioxoisoindol-2-yl)propanoate
CID 1217650
[2-(2,4-dichlorophenyl)-2-oxoethyl] (2S)-2-(1,3-dioxoisoindol-2-yl)propanoate
CID 6552560
2-(2-aminoethyl)-3H-isoindol-1-one;hydrobromide
CID 75485475

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,4-dichlorophenyl)-2-oxoethyl]-3H-isoindol-1-one?
The IUPAC name of 2-[2-(2,4-dichlorophenyl)-2-oxoethyl]-3H-isoindol-1-one (CID 62024728) is 2-[2-(2,4-dichlorophenyl)-2-oxoethyl]-3H-isoindol-1-one.
What is the SMILES notation for 2-[2-(2,4-dichlorophenyl)-2-oxoethyl]-3H-isoindol-1-one?
The canonical SMILES for 2-[2-(2,4-dichlorophenyl)-2-oxoethyl]-3H-isoindol-1-one is O=C(CN1Cc2ccccc2C1=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[2-(2,4-dichlorophenyl)-2-oxoethyl]-3H-isoindol-1-one?
The InChIKey is IUCYBGMEXZLNDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2NO2/c17-11-5-6-13(14(18)7-11)15(20)9-19-8-10-3-1-2-4-12(10)16(19)21/h1-7H,8-9H2.
What are the key properties of 2-[2-(2,4-dichlorophenyl)-2-oxoethyl]-3H-isoindol-1-one?
2-[2-(2,4-dichlorophenyl)-2-oxoethyl]-3H-isoindol-1-one has a molecular weight of 320.18 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-(2,4-dichlorophenyl)-2-oxoethyl]-3H-isoindol-1-one is sourced from PubChem (CID 62024728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).