2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-(2,3-dimethylphenyl)acetamide

C18H15ClN2O3 — CID 113201524

IUPAC2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-(2,3-dimethylphenyl)acetamide
SMILESCc1cccc(NC(=O)CN2C(=O)c3ccc(Cl)cc3C2=O)c1C
InChIInChI=1S/C18H15ClN2O3/c1-10-4-3-5-15(11(10)2)20-16(22)9-21-17(23)13-7-6-12(19)8-14(13)18(21)24/h3-8H,9H2,1-2H3,(H,20,22)
InChIKeySBBNNHCJLGWEQP-UHFFFAOYSA-N
MW342.78 g/mol
LogP3.19
Rot. Bonds3

About 2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-(2,3-dimethylphenyl)acetamide

2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-(2,3-dimethylphenyl)acetamide (PubChem CID 113201524) has the molecular formula C18H15ClN2O3 and a molecular weight of 342.78 g/mol. Its IUPAC name is 2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-(2,3-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-(2,3-dimethylphenyl)acetamide
PubChem CID113201524
Molecular FormulaC18H15ClN2O3
Molecular Weight342.78 g/mol
Exact Mass342.08
IUPAC Name2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-(2,3-dimethylphenyl)acetamide
SMILESCc1cccc(NC(=O)CN2C(=O)c3ccc(Cl)cc3C2=O)c1C
InChIInChI=1S/C18H15ClN2O3/c1-10-4-3-5-15(11(10)2)20-16(22)9-21-17(23)13-7-6-12(19)8-14(13)18(21)24/h3-8H,9H2,1-2H3,(H,20,22)
InChIKeySBBNNHCJLGWEQP-UHFFFAOYSA-N
XLogP3.19
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.78
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2,3-dimethylphenyl)-2-(1,3-dioxobenzo[de]isoquinolin-2-yl)acetamide
CID 113202033
2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-(3,4-dimethylphenyl)acetamide
CID 113201521
2-[4-[2-(5-chloro-2-methylanilino)-2-oxoethyl]piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 9435125
N-(2,4-dichlorophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 884604
N-(4-chloro-2-methylphenyl)-2-(4-fluoro-1,3-dioxoisoindol-2-yl)acetamide
CID 113201722
2-(4-chloro-1,3-dioxoisoindol-2-yl)-N-(3-chloro-2-methylphenyl)acetamide
CID 113201371
N-(4-chloro-2-fluorophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 2711737
N-tert-butyl-2-(5-chloro-1,3-dioxoisoindol-2-yl)acetamide
CID 113201500
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide
CID 8503623
2-[(5E)-5-[(5-chloro-2-ethoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(2,3-dimethylphenyl)acetamide
CID 126363196
(2S)-2-(2,4-dichlorophenyl)-2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-N-(2-methylphenyl)acetamide
CID 7037753
2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-(2-methylpropyl)acetamide
CID 113201438

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-(2,3-dimethylphenyl)acetamide?
The IUPAC name of 2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-(2,3-dimethylphenyl)acetamide (CID 113201524) is 2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-(2,3-dimethylphenyl)acetamide.
What is the SMILES notation for 2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-(2,3-dimethylphenyl)acetamide?
The canonical SMILES for 2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-(2,3-dimethylphenyl)acetamide is Cc1cccc(NC(=O)CN2C(=O)c3ccc(Cl)cc3C2=O)c1C.
What is the InChIKey of 2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-(2,3-dimethylphenyl)acetamide?
The InChIKey is SBBNNHCJLGWEQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O3/c1-10-4-3-5-15(11(10)2)20-16(22)9-21-17(23)13-7-6-12(19)8-14(13)18(21)24/h3-8H,9H2,1-2H3,(H,20,22).
What are the key properties of 2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-(2,3-dimethylphenyl)acetamide?
2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-(2,3-dimethylphenyl)acetamide has a molecular weight of 342.78 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-(2,3-dimethylphenyl)acetamide is sourced from PubChem (CID 113201524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).