2-(4-chloro-1,3-dioxoisoindol-2-yl)-N-(2-phenylethyl)acetamide

C18H15ClN2O3 — CID 113201305

IUPAC2-(4-chloro-1,3-dioxoisoindol-2-yl)-N-(2-phenylethyl)acetamide
SMILESO=C(CN1C(=O)c2cccc(Cl)c2C1=O)NCCc1ccccc1
InChIInChI=1S/C18H15ClN2O3/c19-14-8-4-7-13-16(14)18(24)21(17(13)23)11-15(22)20-10-9-12-5-2-1-3-6-12/h1-8H,9-11H2,(H,20,22)
InChIKeyTZPPAXPUWDNZHA-UHFFFAOYSA-N
MW342.78 g/mol
LogP2.29
Rot. Bonds5

About 2-(4-chloro-1,3-dioxoisoindol-2-yl)-N-(2-phenylethyl)acetamide

2-(4-chloro-1,3-dioxoisoindol-2-yl)-N-(2-phenylethyl)acetamide (PubChem CID 113201305) has the molecular formula C18H15ClN2O3 and a molecular weight of 342.78 g/mol. Its IUPAC name is 2-(4-chloro-1,3-dioxoisoindol-2-yl)-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-1,3-dioxoisoindol-2-yl)-N-(2-phenylethyl)acetamide
PubChem CID113201305
Molecular FormulaC18H15ClN2O3
Molecular Weight342.78 g/mol
Exact Mass342.08
IUPAC Name2-(4-chloro-1,3-dioxoisoindol-2-yl)-N-(2-phenylethyl)acetamide
SMILESO=C(CN1C(=O)c2cccc(Cl)c2C1=O)NCCc1ccccc1
InChIInChI=1S/C18H15ClN2O3/c19-14-8-4-7-13-16(14)18(24)21(17(13)23)11-15(22)20-10-9-12-5-2-1-3-6-12/h1-8H,9-11H2,(H,20,22)
InChIKeyTZPPAXPUWDNZHA-UHFFFAOYSA-N
XLogP2.29
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.78
LogP ≤ 52.29
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-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-(2-phenylethyl)acetamide
CID 2708445
2-(4-chloro-1,3-dioxoisoindol-2-yl)-N-propylacetamide
CID 113201263
2-(4-chloro-1,3-dioxoisoindol-2-yl)acetic acid
CID 117031849
2-(4-chloro-1,3-dioxoisoindol-2-yl)-N-(2-chlorophenyl)acetamide
CID 113201368
3-(4-chloro-1,3-dioxoisoindol-2-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 113202138
2-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 699193
2-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(2-phenylethyl)acetamide
CID 30426466
2-(4-chloro-1,3-dioxoisoindol-2-yl)-N-(3-chloro-2-methylphenyl)acetamide
CID 113201371
2-(4-chloro-1,3-dioxoisoindol-2-yl)-N-methyl-N-phenylacetamide
CID 113201346
2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-[2-(4-chlorophenyl)ethyl]acetamide
CID 113201488
N-butyl-3-(4-chloro-1,3-dioxoisoindol-2-yl)propanamide
CID 113202097
3-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-(2-phenylethyl)propanamide
CID 113202430

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-1,3-dioxoisoindol-2-yl)-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-(4-chloro-1,3-dioxoisoindol-2-yl)-N-(2-phenylethyl)acetamide (CID 113201305) is 2-(4-chloro-1,3-dioxoisoindol-2-yl)-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-(4-chloro-1,3-dioxoisoindol-2-yl)-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-(4-chloro-1,3-dioxoisoindol-2-yl)-N-(2-phenylethyl)acetamide is O=C(CN1C(=O)c2cccc(Cl)c2C1=O)NCCc1ccccc1.
What is the InChIKey of 2-(4-chloro-1,3-dioxoisoindol-2-yl)-N-(2-phenylethyl)acetamide?
The InChIKey is TZPPAXPUWDNZHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O3/c19-14-8-4-7-13-16(14)18(24)21(17(13)23)11-15(22)20-10-9-12-5-2-1-3-6-12/h1-8H,9-11H2,(H,20,22).
What are the key properties of 2-(4-chloro-1,3-dioxoisoindol-2-yl)-N-(2-phenylethyl)acetamide?
2-(4-chloro-1,3-dioxoisoindol-2-yl)-N-(2-phenylethyl)acetamide has a molecular weight of 342.78 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-1,3-dioxoisoindol-2-yl)-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 113201305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).