N-(3,5-difluorophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)acetamide

C16H13F2NO4 — CID 24582149

IUPACN-(3,5-difluorophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)acetamide
SMILESO=C(COc1ccc2c(c1)OCCO2)Nc1cc(F)cc(F)c1
InChIInChI=1S/C16H13F2NO4/c17-10-5-11(18)7-12(6-10)19-16(20)9-23-13-1-2-14-15(8-13)22-4-3-21-14/h1-2,5-8H,3-4,9H2,(H,19,20)
InChIKeySSJVIBLWLRGJSZ-UHFFFAOYSA-N
MW321.28 g/mol
LogP2.75
Rot. Bonds4

About N-(3,5-difluorophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)acetamide

N-(3,5-difluorophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)acetamide (PubChem CID 24582149) has the molecular formula C16H13F2NO4 and a molecular weight of 321.28 g/mol. Its IUPAC name is N-(3,5-difluorophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)acetamide.

Molecular Properties

Compound NameN-(3,5-difluorophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)acetamide
PubChem CID24582149
Molecular FormulaC16H13F2NO4
Molecular Weight321.28 g/mol
Exact Mass321.08
IUPAC NameN-(3,5-difluorophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)acetamide
SMILESO=C(COc1ccc2c(c1)OCCO2)Nc1cc(F)cc(F)c1
InChIInChI=1S/C16H13F2NO4/c17-10-5-11(18)7-12(6-10)19-16(20)9-23-13-1-2-14-15(8-13)22-4-3-21-14/h1-2,5-8H,3-4,9H2,(H,19,20)
InChIKeySSJVIBLWLRGJSZ-UHFFFAOYSA-N
XLogP2.75
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 ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methoxyphenoxy)acetamide
CID 732521
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)acetamide
CID 24534208
N-(1,3-benzodioxol-5-yl)-2-(3-fluorophenoxy)acetamide
CID 2709600
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 16522746
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(4-methoxyphenoxy)acetamide
CID 17439785
N-(2,6-diethylphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)acetamide
CID 17396613
methyl 2-[4-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethoxy]phenyl]acetate
CID 7695270
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[2-(3,4-dimethylphenoxy)acetyl]amino]acetamide
CID 110615491
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[2-(4-methylphenoxy)acetyl]amino]acetamide
CID 110370546
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(4-ethylphenoxy)acetamide
CID 26712228
2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)acetate
CID 7081819
N-[3-(diethylsulfamoyl)phenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)acetamide
CID 24534227

Frequently Asked Questions

What is the IUPAC name of N-(3,5-difluorophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)acetamide?
The IUPAC name of N-(3,5-difluorophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)acetamide (CID 24582149) is N-(3,5-difluorophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)acetamide.
What is the SMILES notation for N-(3,5-difluorophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)acetamide?
The canonical SMILES for N-(3,5-difluorophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)acetamide is O=C(COc1ccc2c(c1)OCCO2)Nc1cc(F)cc(F)c1.
What is the InChIKey of N-(3,5-difluorophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)acetamide?
The InChIKey is SSJVIBLWLRGJSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2NO4/c17-10-5-11(18)7-12(6-10)19-16(20)9-23-13-1-2-14-15(8-13)22-4-3-21-14/h1-2,5-8H,3-4,9H2,(H,19,20).
What are the key properties of N-(3,5-difluorophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)acetamide?
N-(3,5-difluorophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)acetamide has a molecular weight of 321.28 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-difluorophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)acetamide is sourced from PubChem (CID 24582149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).