2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-(2-phenylethyl)acetamide

C18H14Cl2N2O3 — CID 2708445

IUPAC2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-(2-phenylethyl)acetamide
SMILESO=C(CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O)NCCc1ccccc1
InChIInChI=1S/C18H14Cl2N2O3/c19-14-8-12-13(9-15(14)20)18(25)22(17(12)24)10-16(23)21-7-6-11-4-2-1-3-5-11/h1-5,8-9H,6-7,10H2,(H,21,23)
InChIKeyGJYLTIFELNBSQY-UHFFFAOYSA-N
MW377.23 g/mol
LogP2.95
Rot. Bonds5

About 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-(2-phenylethyl)acetamide

2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-(2-phenylethyl)acetamide (PubChem CID 2708445) has the molecular formula C18H14Cl2N2O3 and a molecular weight of 377.23 g/mol. Its IUPAC name is 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-(2-phenylethyl)acetamide
PubChem CID2708445
Molecular FormulaC18H14Cl2N2O3
Molecular Weight377.23 g/mol
Exact Mass376.04
IUPAC Name2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-(2-phenylethyl)acetamide
SMILESO=C(CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O)NCCc1ccccc1
InChIInChI=1S/C18H14Cl2N2O3/c19-14-8-12-13(9-15(14)20)18(25)22(17(12)24)10-16(23)21-7-6-11-4-2-1-3-5-11/h1-5,8-9H,6-7,10H2,(H,21,23)
InChIKeyGJYLTIFELNBSQY-UHFFFAOYSA-N
XLogP2.95
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.23
LogP ≤ 52.95
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

2-(4-chloro-1,3-dioxoisoindol-2-yl)-N-(2-phenylethyl)acetamide
CID 113201305
2-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(2-phenylethyl)acetamide
CID 30426466
2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 2708425
N-[2-(benzylsulfamoyl)ethyl]-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetamide
CID 55795473
2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-[2-(4-chlorophenyl)ethyl]acetamide
CID 113201488
N-(2-benzylphenyl)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetamide
CID 2708377
2-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 699193
2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
CID 28594191
2-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-N-(2-phenylethyl)acetamide
CID 17383605
N-benzyl-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-methylacetamide
CID 2708411
2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(2-phenylethyl)acetamide
CID 164623461
2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-[[4-(dimethylamino)phenyl]methyl]acetamide
CID 9304258

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-(2-phenylethyl)acetamide (CID 2708445) is 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-(2-phenylethyl)acetamide is O=C(CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O)NCCc1ccccc1.
What is the InChIKey of 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-(2-phenylethyl)acetamide?
The InChIKey is GJYLTIFELNBSQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N2O3/c19-14-8-12-13(9-15(14)20)18(25)22(17(12)24)10-16(23)21-7-6-11-4-2-1-3-5-11/h1-5,8-9H,6-7,10H2,(H,21,23).
What are the key properties of 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-(2-phenylethyl)acetamide?
2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-(2-phenylethyl)acetamide has a molecular weight of 377.23 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 2708445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).