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

C20H21BrN2O5 — CID 55590655

IUPAC2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]acetamide
SMILESCN(C)C(=O)COc1ccc(NC(=O)Cc2cc3c(cc2Br)OCCO3)cc1
InChIInChI=1S/C20H21BrN2O5/c1-23(2)20(25)12-28-15-5-3-14(4-6-15)22-19(24)10-13-9-17-18(11-16(13)21)27-8-7-26-17/h3-6,9,11H,7-8,10,12H2,1-2H3,(H,22,24)
InChIKeyKCDIQKQSJXTAGO-UHFFFAOYSA-N
MW449.30 g/mol
LogP2.87
Rot. Bonds6

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

2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]acetamide (PubChem CID 55590655) has the molecular formula C20H21BrN2O5 and a molecular weight of 449.30 g/mol. Its IUPAC name is 2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]acetamide.

Molecular Properties

Compound Name2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]acetamide
PubChem CID55590655
Molecular FormulaC20H21BrN2O5
Molecular Weight449.30 g/mol
Exact Mass448.06
IUPAC Name2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]acetamide
SMILESCN(C)C(=O)COc1ccc(NC(=O)Cc2cc3c(cc2Br)OCCO3)cc1
InChIInChI=1S/C20H21BrN2O5/c1-23(2)20(25)12-28-15-5-3-14(4-6-15)22-19(24)10-13-9-17-18(11-16(13)21)27-8-7-26-17/h3-6,9,11H,7-8,10,12H2,1-2H3,(H,22,24)
InChIKeyKCDIQKQSJXTAGO-UHFFFAOYSA-N
XLogP2.87
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.30
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

2-(3-bromophenyl)-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]acetamide
CID 60616164
N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3,3-dimethylbutanamide
CID 32943486
N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-2-methylpropanamide
CID 32943144
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(4-ethoxyphenyl)acetamide
CID 26902730
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methoxyphenoxy)acetamide
CID 732521
N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide
CID 32942559
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-[2-(4-fluorophenoxy)ethyl]-N-methylacetamide
CID 55431067
methyl 2-[4-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethoxy]phenyl]acetate
CID 7695270
2-(1,3-benzodioxol-5-yl)-N-(4-ethoxyphenyl)acetamide
CID 87044762
N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 30860230
N-(4-fluorophenyl)-2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 110770195

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]acetamide?
The IUPAC name of 2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]acetamide (CID 55590655) is 2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]acetamide.
What is the SMILES notation for 2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]acetamide?
The canonical SMILES for 2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]acetamide is CN(C)C(=O)COc1ccc(NC(=O)Cc2cc3c(cc2Br)OCCO3)cc1.
What is the InChIKey of 2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]acetamide?
The InChIKey is KCDIQKQSJXTAGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21BrN2O5/c1-23(2)20(25)12-28-15-5-3-14(4-6-15)22-19(24)10-13-9-17-18(11-16(13)21)27-8-7-26-17/h3-6,9,11H,7-8,10,12H2,1-2H3,(H,22,24).
What are the key properties of 2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]acetamide?
2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]acetamide has a molecular weight of 449.30 g/mol, XLogP of 2.87, 6 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-(dimethylamino)-2-oxoethoxy]phenyl]acetamide is sourced from PubChem (CID 55590655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).