4-(difluoromethoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide

C16H13F2NO4 — CID 2162099

IUPAC4-(difluoromethoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)c1ccc(OC(F)F)cc1
InChIInChI=1S/C16H13F2NO4/c17-16(18)23-12-4-1-10(2-5-12)15(20)19-11-3-6-13-14(9-11)22-8-7-21-13/h1-6,9,16H,7-8H2,(H,19,20)
InChIKeyOUJHWEYOJFQSIM-UHFFFAOYSA-N
MW321.28 g/mol
LogP3.31
Rot. Bonds4

About 4-(difluoromethoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide

4-(difluoromethoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide (PubChem CID 2162099) has the molecular formula C16H13F2NO4 and a molecular weight of 321.28 g/mol. Its IUPAC name is 4-(difluoromethoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide.

Molecular Properties

Compound Name4-(difluoromethoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
PubChem CID2162099
Molecular FormulaC16H13F2NO4
Molecular Weight321.28 g/mol
Exact Mass321.08
IUPAC Name4-(difluoromethoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)c1ccc(OC(F)F)cc1
InChIInChI=1S/C16H13F2NO4/c17-16(18)23-12-4-1-10(2-5-12)15(20)19-11-3-6-13-14(9-11)22-8-7-21-13/h1-6,9,16H,7-8H2,(H,19,20)
InChIKeyOUJHWEYOJFQSIM-UHFFFAOYSA-N
XLogP3.31
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.28
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(difluoromethoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methoxybenzamide
CID 1000603
N-(4-propan-2-yloxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 94206602
4-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
CID 732526
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate
CID 2399479
4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-N-(4-methylphenyl)benzene-1,4-dicarboxamide
CID 109049446
N'-[4-(difluoromethoxy)benzoyl]-1,3-benzodioxole-5-carbohydrazide
CID 43002109
2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 2516111
4-(difluoromethoxy)-N-naphthalen-2-ylbenzamide
CID 2666065
4-[[1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl]amino]-N-(4-methoxyphenyl)benzamide
CID 17498842
N-(4-acetamidophenyl)-4-(difluoromethoxy)benzamide
CID 2168312
4-[[4-(difluoromethoxy)benzoyl]amino]benzamide
CID 842852
N-(2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-trien-20-yl)-4-[(4-methoxyphenyl)diazenyl]benzamide
CID 102336284

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide?
The IUPAC name of 4-(difluoromethoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide (CID 2162099) is 4-(difluoromethoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide.
What is the SMILES notation for 4-(difluoromethoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide?
The canonical SMILES for 4-(difluoromethoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide is O=C(Nc1ccc2c(c1)OCCO2)c1ccc(OC(F)F)cc1.
What is the InChIKey of 4-(difluoromethoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide?
The InChIKey is OUJHWEYOJFQSIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2NO4/c17-16(18)23-12-4-1-10(2-5-12)15(20)19-11-3-6-13-14(9-11)22-8-7-21-13/h1-6,9,16H,7-8H2,(H,19,20).
What are the key properties of 4-(difluoromethoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide?
4-(difluoromethoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide has a molecular weight of 321.28 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide is sourced from PubChem (CID 2162099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).