4-(chloromethyl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

C14H11ClN2O4 — CID 168870811

IUPAC4-(chloromethyl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
SMILESO=C1CCC(N2C(=O)c3cccc(CCl)c3C2=O)C(=O)N1
InChIInChI=1S/C14H11ClN2O4/c15-6-7-2-1-3-8-11(7)14(21)17(13(8)20)9-4-5-10(18)16-12(9)19/h1-3,9H,4-6H2,(H,16,18,19)
InChIKeyCAPMAZKHMZCIGV-UHFFFAOYSA-N
MW306.70 g/mol
LogP0.83
Rot. Bonds2

About 4-(chloromethyl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

4-(chloromethyl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (PubChem CID 168870811) has the molecular formula C14H11ClN2O4 and a molecular weight of 306.70 g/mol. Its IUPAC name is 4-(chloromethyl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name4-(chloromethyl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
PubChem CID168870811
Molecular FormulaC14H11ClN2O4
Molecular Weight306.70 g/mol
Exact Mass306.04
IUPAC Name4-(chloromethyl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
SMILESO=C1CCC(N2C(=O)c3cccc(CCl)c3C2=O)C(=O)N1
InChIInChI=1S/C14H11ClN2O4/c15-6-7-2-1-3-8-11(7)14(21)17(13(8)20)9-4-5-10(18)16-12(9)19/h1-3,9H,4-6H2,(H,16,18,19)
InChIKeyCAPMAZKHMZCIGV-UHFFFAOYSA-N
XLogP0.83
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.70
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-butyl-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 154670467
4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 71499176
2-(2,6-dioxopiperidin-3-yl)-4-undecylisoindole-1,3-dione
CID 158773174
4-(11-aminoundecyl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 160780057
2-(2,6-dioxopiperidin-3-yl)-4-[3-(2-methoxyethoxy)propyl]isoindole-1,3-dione
CID 155449044
2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 161120100
2-(2,6-dioxo(115N)azinan-3-yl)isoindole-1,3-dione
CID 46898665
2-(2,6-dioxo(513C)azinan-3-yl)isoindole-1,3-dione
CID 46898587
4-[(4-aminopiperidin-1-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167727971
N-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]methyl]cyclopropanecarboxamide
CID 10155135
4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;dihydrate
CID 135349767
4-[3-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;hydrochloride
CID 155292239

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The IUPAC name of 4-(chloromethyl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (CID 168870811) is 4-(chloromethyl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.
What is the SMILES notation for 4-(chloromethyl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The canonical SMILES for 4-(chloromethyl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is O=C1CCC(N2C(=O)c3cccc(CCl)c3C2=O)C(=O)N1.
What is the InChIKey of 4-(chloromethyl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The InChIKey is CAPMAZKHMZCIGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O4/c15-6-7-2-1-3-8-11(7)14(21)17(13(8)20)9-4-5-10(18)16-12(9)19/h1-3,9H,4-6H2,(H,16,18,19).
What are the key properties of 4-(chloromethyl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
4-(chloromethyl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione has a molecular weight of 306.70 g/mol, XLogP of 0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is sourced from PubChem (CID 168870811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).