2-chloro-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]acetamide

C15H12ClN3O5 — CID 121448673

IUPAC2-chloro-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]acetamide
SMILESO=C1CCC(N2C(=O)c3ccc(NC(=O)CCl)cc3C2=O)C(=O)N1
InChIInChI=1S/C15H12ClN3O5/c16-6-12(21)17-7-1-2-8-9(5-7)15(24)19(14(8)23)10-3-4-11(20)18-13(10)22/h1-2,5,10H,3-4,6H2,(H,17,21)(H,18,20,22)
InChIKeyOIDIVJNMVBHPAC-UHFFFAOYSA-N
MW349.73 g/mol
LogP0.27
Rot. Bonds3

About 2-chloro-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]acetamide

2-chloro-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]acetamide (PubChem CID 121448673) has the molecular formula C15H12ClN3O5 and a molecular weight of 349.73 g/mol. Its IUPAC name is 2-chloro-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]acetamide
PubChem CID121448673
Molecular FormulaC15H12ClN3O5
Molecular Weight349.73 g/mol
Exact Mass349.05
IUPAC Name2-chloro-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]acetamide
SMILESO=C1CCC(N2C(=O)c3ccc(NC(=O)CCl)cc3C2=O)C(=O)N1
InChIInChI=1S/C15H12ClN3O5/c16-6-12(21)17-7-1-2-8-9(5-7)15(24)19(14(8)23)10-3-4-11(20)18-13(10)22/h1-2,5,10H,3-4,6H2,(H,17,21)(H,18,20,22)
InChIKeyOIDIVJNMVBHPAC-UHFFFAOYSA-N
XLogP0.27
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.73
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]acetamide?
The IUPAC name of 2-chloro-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]acetamide (CID 121448673) is 2-chloro-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]acetamide.
What is the SMILES notation for 2-chloro-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]acetamide?
The canonical SMILES for 2-chloro-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]acetamide is O=C1CCC(N2C(=O)c3ccc(NC(=O)CCl)cc3C2=O)C(=O)N1.
What is the InChIKey of 2-chloro-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]acetamide?
The InChIKey is OIDIVJNMVBHPAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O5/c16-6-12(21)17-7-1-2-8-9(5-7)15(24)19(14(8)23)10-3-4-11(20)18-13(10)22/h1-2,5,10H,3-4,6H2,(H,17,21)(H,18,20,22).
What are the key properties of 2-chloro-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]acetamide?
2-chloro-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]acetamide has a molecular weight of 349.73 g/mol, XLogP of 0.27, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]acetamide is sourced from PubChem (CID 121448673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).