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

C23H21BrN2O4 — CID 55714430

IUPAC2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]acetamide
SMILESO=C(Cc1cc2c(cc1Br)OCCO2)NCc1cccc(OCc2ccccn2)c1
InChIInChI=1S/C23H21BrN2O4/c24-20-13-22-21(28-8-9-29-22)11-17(20)12-23(27)26-14-16-4-3-6-19(10-16)30-15-18-5-1-2-7-25-18/h1-7,10-11,13H,8-9,12,14-15H2,(H,26,27)
InChIKeyWCOYATLEINTRQR-UHFFFAOYSA-N
MW469.34 g/mol
LogP4.05
Rot. Bonds7

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

2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]acetamide (PubChem CID 55714430) has the molecular formula C23H21BrN2O4 and a molecular weight of 469.34 g/mol. Its IUPAC name is 2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]acetamide
PubChem CID55714430
Molecular FormulaC23H21BrN2O4
Molecular Weight469.34 g/mol
Exact Mass468.07
IUPAC Name2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]acetamide
SMILESO=C(Cc1cc2c(cc1Br)OCCO2)NCc1cccc(OCc2ccccn2)c1
InChIInChI=1S/C23H21BrN2O4/c24-20-13-22-21(28-8-9-29-22)11-17(20)12-23(27)26-14-16-4-3-6-19(10-16)30-15-18-5-1-2-7-25-18/h1-7,10-11,13H,8-9,12,14-15H2,(H,26,27)
InChIKeyWCOYATLEINTRQR-UHFFFAOYSA-N
XLogP4.05
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.34
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

4-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxo-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]butanamide
CID 56567681
2-(2,6-dimethylphenoxy)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]acetamide
CID 46478039
1-(1,3-benzodioxol-5-ylmethyl)-2-methyl-3-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]guanidine
CID 111845073
5-oxo-5-[[3-(pyridin-2-ylmethoxy)phenyl]methylamino]pent-2-enoic acid
CID 75134507
2-(2-chlorophenoxy)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]acetamide
CID 46590568
N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-1-benzofuran-2-carboxamide
CID 46470158
2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(2-ethoxy-4-pyridinyl)methyl]acetamide
CID 78876056
5-(methoxymethyl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]furan-2-carboxamide
CID 78875904
2-methoxy-5-methyl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide
CID 55709278
2,4-difluoro-N-[3-oxo-3-[[3-(pyridin-2-ylmethoxy)phenyl]methylamino]propyl]benzamide
CID 46470248
2-[(4-methylphenyl)methylcarbamoylamino]-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]acetamide
CID 46467326
2-[(4-fluorophenyl)methylcarbamoylamino]-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]acetamide
CID 46467325

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]acetamide?
The IUPAC name of 2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]acetamide (CID 55714430) is 2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]acetamide?
The canonical SMILES for 2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]acetamide is O=C(Cc1cc2c(cc1Br)OCCO2)NCc1cccc(OCc2ccccn2)c1.
What is the InChIKey of 2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]acetamide?
The InChIKey is WCOYATLEINTRQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21BrN2O4/c24-20-13-22-21(28-8-9-29-22)11-17(20)12-23(27)26-14-16-4-3-6-19(10-16)30-15-18-5-1-2-7-25-18/h1-7,10-11,13H,8-9,12,14-15H2,(H,26,27).
What are the key properties of 2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]acetamide?
2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]acetamide has a molecular weight of 469.34 g/mol, XLogP of 4.05, 7 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-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]acetamide is sourced from PubChem (CID 55714430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).