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

C15H11F2NO3 — CID 2810385

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,6-difluorobenzamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)c1c(F)cccc1F
InChIInChI=1S/C15H11F2NO3/c16-10-2-1-3-11(17)14(10)15(19)18-9-4-5-12-13(8-9)21-7-6-20-12/h1-5,8H,6-7H2,(H,18,19)
InChIKeyHIBLHRZHTNTKLJ-UHFFFAOYSA-N
MW291.25 g/mol
LogP2.99
Rot. Bonds2

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

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,6-difluorobenzamide (PubChem CID 2810385) has the molecular formula C15H11F2NO3 and a molecular weight of 291.25 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,6-difluorobenzamide
PubChem CID2810385
Molecular FormulaC15H11F2NO3
Molecular Weight291.25 g/mol
Exact Mass291.07
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,6-difluorobenzamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)c1c(F)cccc1F
InChIInChI=1S/C15H11F2NO3/c16-10-2-1-3-11(17)14(10)15(19)18-9-4-5-12-13(8-9)21-7-6-20-12/h1-5,8H,6-7H2,(H,18,19)
InChIKeyHIBLHRZHTNTKLJ-UHFFFAOYSA-N
XLogP2.99
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.25
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-dichloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
CID 777312
N-[(2S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide
CID 9138195
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-fluoro-2-methyl-1H-indole-3-carboxamide
CID 110863302
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-fluorobenzamide
CID 26070603
1-N'-(2,6-difluorophenyl)-1-N-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropane-1,1-dicarboxamide
CID 108983718
N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioyl)-2-fluorobenzamide
CID 888685
N-[3-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]sulfanylphenyl]-2-fluorobenzamide
CID 18903952
3-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-fluorobenzamide
CID 110764768
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-fluorophenyl)-5-methylpyrazole-3-carboxamide
CID 110426437
N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-fluorophenyl)oxamide
CID 44997744
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,4-dimethylfuran-3-carboxamide
CID 112521563
N-(1,3-benzodioxol-5-yl)-4-fluoro-2-methyl-1H-indole-3-carboxamide
CID 110863160

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,6-difluorobenzamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,6-difluorobenzamide (CID 2810385) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,6-difluorobenzamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,6-difluorobenzamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,6-difluorobenzamide is O=C(Nc1ccc2c(c1)OCCO2)c1c(F)cccc1F.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,6-difluorobenzamide?
The InChIKey is HIBLHRZHTNTKLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2NO3/c16-10-2-1-3-11(17)14(10)15(19)18-9-4-5-12-13(8-9)21-7-6-20-12/h1-5,8H,6-7H2,(H,18,19).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,6-difluorobenzamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,6-difluorobenzamide has a molecular weight of 291.25 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,6-difluorobenzamide is sourced from PubChem (CID 2810385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).