N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2,4-difluorophenoxy)acetamide

C16H12BrF2NO4 — CID 36609990

IUPACN-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2,4-difluorophenoxy)acetamide
SMILESO=C(COc1ccc(F)cc1F)Nc1cc2c(cc1Br)OCCO2
InChIInChI=1S/C16H12BrF2NO4/c17-10-6-14-15(23-4-3-22-14)7-12(10)20-16(21)8-24-13-2-1-9(18)5-11(13)19/h1-2,5-7H,3-4,8H2,(H,20,21)
InChIKeyXDMZNYXLBGGIAQ-UHFFFAOYSA-N
MW400.18 g/mol
LogP3.52
Rot. Bonds4

About N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2,4-difluorophenoxy)acetamide

N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2,4-difluorophenoxy)acetamide (PubChem CID 36609990) has the molecular formula C16H12BrF2NO4 and a molecular weight of 400.18 g/mol. Its IUPAC name is N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2,4-difluorophenoxy)acetamide.

Molecular Properties

Compound NameN-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2,4-difluorophenoxy)acetamide
PubChem CID36609990
Molecular FormulaC16H12BrF2NO4
Molecular Weight400.18 g/mol
Exact Mass398.99
IUPAC NameN-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2,4-difluorophenoxy)acetamide
SMILESO=C(COc1ccc(F)cc1F)Nc1cc2c(cc1Br)OCCO2
InChIInChI=1S/C16H12BrF2NO4/c17-10-6-14-15(23-4-3-22-14)7-12(10)20-16(21)8-24-13-2-1-9(18)5-11(13)19/h1-2,5-7H,3-4,8H2,(H,20,21)
InChIKeyXDMZNYXLBGGIAQ-UHFFFAOYSA-N
XLogP3.52
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.18
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2-fluorophenoxy)acetamide
CID 39820182
2-(4-bromo-2-fluorophenoxy)-N-(2,4-difluorophenyl)acetamide
CID 2523027
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(2-bromo-4-fluorophenoxy)acetamide
CID 29242319
2-(2,4-difluorophenoxy)-N-(2-hydroxyphenyl)acetamide
CID 31984086
2-(2,4-dibromophenoxy)-N-(2,4-difluorophenyl)acetamide
CID 2632796
2-(2,4-difluorophenoxy)-N-(4-fluorophenyl)acetamide
CID 580280
2-(2,4-difluorophenoxy)-N-(2,5-dimethoxyphenyl)acetamide
CID 39908076
N-(2-chlorophenyl)-2-(2,4-difluorophenoxy)acetamide
CID 31854987
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(5-chloro-2-fluoroanilino)acetamide
CID 46700605
2-(2-bromo-4-fluorophenoxy)-N-(2,5-dichlorophenyl)acetamide
CID 7899911
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]acetamide
CID 24567817
2-(2-bromo-4-fluorophenoxy)-N-(2-morpholin-4-ylphenyl)acetamide
CID 2627522

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2,4-difluorophenoxy)acetamide?
The IUPAC name of N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2,4-difluorophenoxy)acetamide (CID 36609990) is N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2,4-difluorophenoxy)acetamide.
What is the SMILES notation for N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2,4-difluorophenoxy)acetamide?
The canonical SMILES for N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2,4-difluorophenoxy)acetamide is O=C(COc1ccc(F)cc1F)Nc1cc2c(cc1Br)OCCO2.
What is the InChIKey of N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2,4-difluorophenoxy)acetamide?
The InChIKey is XDMZNYXLBGGIAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrF2NO4/c17-10-6-14-15(23-4-3-22-14)7-12(10)20-16(21)8-24-13-2-1-9(18)5-11(13)19/h1-2,5-7H,3-4,8H2,(H,20,21).
What are the key properties of N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2,4-difluorophenoxy)acetamide?
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2,4-difluorophenoxy)acetamide has a molecular weight of 400.18 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2,4-difluorophenoxy)acetamide is sourced from PubChem (CID 36609990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).