3-(2,3-dihydro-1,4-benzodioxin-6-ylmethoxy)-2,6-difluorobenzamide

C16H13F2NO4 — CID 134137552

IUPAC3-(2,3-dihydro-1,4-benzodioxin-6-ylmethoxy)-2,6-difluorobenzamide
SMILESNC(=O)c1c(F)ccc(OCc2ccc3c(c2)OCCO3)c1F
InChIInChI=1S/C16H13F2NO4/c17-10-2-4-12(15(18)14(10)16(19)20)23-8-9-1-3-11-13(7-9)22-6-5-21-11/h1-4,7H,5-6,8H2,(H2,19,20)
InChIKeyWKKDFALCIQPSMS-UHFFFAOYSA-N
MW321.28 g/mol
LogP2.41
Rot. Bonds4

About 3-(2,3-dihydro-1,4-benzodioxin-6-ylmethoxy)-2,6-difluorobenzamide

3-(2,3-dihydro-1,4-benzodioxin-6-ylmethoxy)-2,6-difluorobenzamide (PubChem CID 134137552) has the molecular formula C16H13F2NO4 and a molecular weight of 321.28 g/mol. Its IUPAC name is 3-(2,3-dihydro-1,4-benzodioxin-6-ylmethoxy)-2,6-difluorobenzamide.

Molecular Properties

Compound Name3-(2,3-dihydro-1,4-benzodioxin-6-ylmethoxy)-2,6-difluorobenzamide
PubChem CID134137552
Molecular FormulaC16H13F2NO4
Molecular Weight321.28 g/mol
Exact Mass321.08
IUPAC Name3-(2,3-dihydro-1,4-benzodioxin-6-ylmethoxy)-2,6-difluorobenzamide
SMILESNC(=O)c1c(F)ccc(OCc2ccc3c(c2)OCCO3)c1F
InChIInChI=1S/C16H13F2NO4/c17-10-2-4-12(15(18)14(10)16(19)20)23-8-9-1-3-11-13(7-9)22-6-5-21-11/h1-4,7H,5-6,8H2,(H2,19,20)
InChIKeyWKKDFALCIQPSMS-UHFFFAOYSA-N
XLogP2.41
TPSA70.78 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 ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-difluoro-3-[(3-methylphenyl)methoxy]benzamide;ethane
CID 143542803
2,6-difluoro-3-(quinolin-7-ylmethoxy)benzamide
CID 59402735
3-[[3-(4-tert-butylphenyl)phenyl]methoxy]-2,6-difluorobenzamide
CID 90153643
3-(1-benzothiophen-2-ylmethoxy)-2,6-difluorobenzamide
CID 59402891
2-(1,3-benzodioxol-5-ylmethoxy)-4,6-difluoroaniline
CID 115507284
14-[[2-(2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.012,17]dotriaconta-1(32),12(17),13,15,28,30-hexaen-14-ylmethoxy)phenoxy]methyl]-2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.012,17]dotriaconta-1(32),12(17),13,15,28,30-hexaene
CID 11491620
2-(1,3-benzodioxol-5-ylmethoxy)-5-chlorobenzenecarbothioamide
CID 62494738
3-(5-chloropentoxy)-2,6-difluorobenzamide
CID 66546028
2-(1,3-benzodioxol-5-ylmethoxy)-4-methoxybenzamide
CID 18166105
bis(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-ylmethyl) (E)-but-2-enedioate
CID 12501641
2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-ylmethyl N-aminocarbamate
CID 122578654
2-(1,3-benzodioxol-5-ylmethoxy)-4-chlorobenzenecarbothioamide
CID 63092157

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1,4-benzodioxin-6-ylmethoxy)-2,6-difluorobenzamide?
The IUPAC name of 3-(2,3-dihydro-1,4-benzodioxin-6-ylmethoxy)-2,6-difluorobenzamide (CID 134137552) is 3-(2,3-dihydro-1,4-benzodioxin-6-ylmethoxy)-2,6-difluorobenzamide.
What is the SMILES notation for 3-(2,3-dihydro-1,4-benzodioxin-6-ylmethoxy)-2,6-difluorobenzamide?
The canonical SMILES for 3-(2,3-dihydro-1,4-benzodioxin-6-ylmethoxy)-2,6-difluorobenzamide is NC(=O)c1c(F)ccc(OCc2ccc3c(c2)OCCO3)c1F.
What is the InChIKey of 3-(2,3-dihydro-1,4-benzodioxin-6-ylmethoxy)-2,6-difluorobenzamide?
The InChIKey is WKKDFALCIQPSMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2NO4/c17-10-2-4-12(15(18)14(10)16(19)20)23-8-9-1-3-11-13(7-9)22-6-5-21-11/h1-4,7H,5-6,8H2,(H2,19,20).
What are the key properties of 3-(2,3-dihydro-1,4-benzodioxin-6-ylmethoxy)-2,6-difluorobenzamide?
3-(2,3-dihydro-1,4-benzodioxin-6-ylmethoxy)-2,6-difluorobenzamide has a molecular weight of 321.28 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1,4-benzodioxin-6-ylmethoxy)-2,6-difluorobenzamide is sourced from PubChem (CID 134137552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).