2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[4-(2,6-dioxopiperidin-1-yl)phenyl]acetamide

C21H19BrN2O5 — CID 55968625

IUPAC2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[4-(2,6-dioxopiperidin-1-yl)phenyl]acetamide
SMILESO=C(Cc1cc2c(cc1Br)OCCO2)Nc1ccc(N2C(=O)CCCC2=O)cc1
InChIInChI=1S/C21H19BrN2O5/c22-16-12-18-17(28-8-9-29-18)10-13(16)11-19(25)23-14-4-6-15(7-5-14)24-20(26)2-1-3-21(24)27/h4-7,10,12H,1-3,8-9,11H2,(H,23,25)
InChIKeyKXWNQYSFDJICCK-UHFFFAOYSA-N
MW459.30 g/mol
LogP3.44
Rot. Bonds4

About 2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[4-(2,6-dioxopiperidin-1-yl)phenyl]acetamide

2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[4-(2,6-dioxopiperidin-1-yl)phenyl]acetamide (PubChem CID 55968625) has the molecular formula C21H19BrN2O5 and a molecular weight of 459.30 g/mol. Its IUPAC name is 2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[4-(2,6-dioxopiperidin-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[4-(2,6-dioxopiperidin-1-yl)phenyl]acetamide
PubChem CID55968625
Molecular FormulaC21H19BrN2O5
Molecular Weight459.30 g/mol
Exact Mass458.05
IUPAC Name2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[4-(2,6-dioxopiperidin-1-yl)phenyl]acetamide
SMILESO=C(Cc1cc2c(cc1Br)OCCO2)Nc1ccc(N2C(=O)CCCC2=O)cc1
InChIInChI=1S/C21H19BrN2O5/c22-16-12-18-17(28-8-9-29-18)10-13(16)11-19(25)23-14-4-6-15(7-5-14)24-20(26)2-1-3-21(24)27/h4-7,10,12H,1-3,8-9,11H2,(H,23,25)
InChIKeyKXWNQYSFDJICCK-UHFFFAOYSA-N
XLogP3.44
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.30
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[4-(2,6-dioxopiperidin-1-yl)phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-[4-(2,6-dioxopiperidin-1-yl)phenyl]propanamide
CID 55691896
2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylacetamide
CID 17489362
2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]acetamide
CID 55590655
[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] 4-(2,5-dioxopyrrolidin-1-yl)benzoate
CID 7204057
4-bromo-3-(dimethylsulfamoyl)-N-[4-(2,6-dioxopiperidin-1-yl)phenyl]benzamide
CID 55706130
2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(2-chlorophenyl)acetamide
CID 55386498
2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide
CID 112805152
N-(4-fluorophenyl)-2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 110770195
2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(2,3-dimethylphenyl)acetamide
CID 39966173
2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(2-chloro-4-methylphenyl)acetamide
CID 55386564
2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 112832788
N-(1,3-benzodioxol-5-yl)-2-(2-bromophenyl)acetamide
CID 113098813

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[4-(2,6-dioxopiperidin-1-yl)phenyl]acetamide?
The IUPAC name of 2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[4-(2,6-dioxopiperidin-1-yl)phenyl]acetamide (CID 55968625) is 2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[4-(2,6-dioxopiperidin-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[4-(2,6-dioxopiperidin-1-yl)phenyl]acetamide?
The canonical SMILES for 2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[4-(2,6-dioxopiperidin-1-yl)phenyl]acetamide is O=C(Cc1cc2c(cc1Br)OCCO2)Nc1ccc(N2C(=O)CCCC2=O)cc1.
What is the InChIKey of 2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[4-(2,6-dioxopiperidin-1-yl)phenyl]acetamide?
The InChIKey is KXWNQYSFDJICCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19BrN2O5/c22-16-12-18-17(28-8-9-29-18)10-13(16)11-19(25)23-14-4-6-15(7-5-14)24-20(26)2-1-3-21(24)27/h4-7,10,12H,1-3,8-9,11H2,(H,23,25).
What are the key properties of 2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[4-(2,6-dioxopiperidin-1-yl)phenyl]acetamide?
2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[4-(2,6-dioxopiperidin-1-yl)phenyl]acetamide has a molecular weight of 459.30 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[4-(2,6-dioxopiperidin-1-yl)phenyl]acetamide is sourced from PubChem (CID 55968625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).