N-[1-(1,3-benzodioxol-5-yloxy)propan-2-yl]-2,6-difluorobenzamide

C17H15F2NO4 — CID 23610227

IUPACN-[1-(1,3-benzodioxol-5-yloxy)propan-2-yl]-2,6-difluorobenzamide
SMILESCC(COc1ccc2c(c1)OCO2)NC(=O)c1c(F)cccc1F
InChIInChI=1S/C17H15F2NO4/c1-10(20-17(21)16-12(18)3-2-4-13(16)19)8-22-11-5-6-14-15(7-11)24-9-23-14/h2-7,10H,8-9H2,1H3,(H,20,21)
InChIKeyJDLWOHDCSOLTRV-UHFFFAOYSA-N
MW335.31 g/mol
LogP2.89
Rot. Bonds5

About N-[1-(1,3-benzodioxol-5-yloxy)propan-2-yl]-2,6-difluorobenzamide

N-[1-(1,3-benzodioxol-5-yloxy)propan-2-yl]-2,6-difluorobenzamide (PubChem CID 23610227) has the molecular formula C17H15F2NO4 and a molecular weight of 335.31 g/mol. Its IUPAC name is N-[1-(1,3-benzodioxol-5-yloxy)propan-2-yl]-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-[1-(1,3-benzodioxol-5-yloxy)propan-2-yl]-2,6-difluorobenzamide
PubChem CID23610227
Molecular FormulaC17H15F2NO4
Molecular Weight335.31 g/mol
Exact Mass335.10
IUPAC NameN-[1-(1,3-benzodioxol-5-yloxy)propan-2-yl]-2,6-difluorobenzamide
SMILESCC(COc1ccc2c(c1)OCO2)NC(=O)c1c(F)cccc1F
InChIInChI=1S/C17H15F2NO4/c1-10(20-17(21)16-12(18)3-2-4-13(16)19)8-22-11-5-6-14-15(7-11)24-9-23-14/h2-7,10H,8-9H2,1H3,(H,20,21)
InChIKeyJDLWOHDCSOLTRV-UHFFFAOYSA-N
XLogP2.89
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.31
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-chloro-6-fluorobenzamide
CID 30350377
N-[(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide
CID 26006198
5-(2-methylpropoxy)-1,3-benzodioxole
CID 59144833
(2R)-1-(1,3-benzodioxol-5-yloxy)butan-2-ol
CID 164702589
1-(1,3-benzodioxol-5-yloxy)propan-2-amine
CID 21474843
2-fluoro-N-(1-phenoxypropan-2-yl)benzamide
CID 117061953
3-(1,3-benzodioxol-5-yl)-N-(1-methoxypropan-2-yl)benzamide
CID 118785915
1-[3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]-3-(3-fluorophenyl)urea
CID 51102218
(2R)-1-(1,3-benzodioxol-5-yloxy)-4-methylpentan-2-ol
CID 164702579
N-(5-chloropentan-2-yl)-2,6-difluorobenzamide
CID 114305791
(2S)-1-(1,3-benzodioxol-5-yloxy)-3-methylbutan-2-amine
CID 82080454
N-[4-(1,3-benzodioxol-5-yloxy)but-2-ynyl]-2,6-difluorobenzenesulfonamide
CID 90576333

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-benzodioxol-5-yloxy)propan-2-yl]-2,6-difluorobenzamide?
The IUPAC name of N-[1-(1,3-benzodioxol-5-yloxy)propan-2-yl]-2,6-difluorobenzamide (CID 23610227) is N-[1-(1,3-benzodioxol-5-yloxy)propan-2-yl]-2,6-difluorobenzamide.
What is the SMILES notation for N-[1-(1,3-benzodioxol-5-yloxy)propan-2-yl]-2,6-difluorobenzamide?
The canonical SMILES for N-[1-(1,3-benzodioxol-5-yloxy)propan-2-yl]-2,6-difluorobenzamide is CC(COc1ccc2c(c1)OCO2)NC(=O)c1c(F)cccc1F.
What is the InChIKey of N-[1-(1,3-benzodioxol-5-yloxy)propan-2-yl]-2,6-difluorobenzamide?
The InChIKey is JDLWOHDCSOLTRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2NO4/c1-10(20-17(21)16-12(18)3-2-4-13(16)19)8-22-11-5-6-14-15(7-11)24-9-23-14/h2-7,10H,8-9H2,1H3,(H,20,21).
What are the key properties of N-[1-(1,3-benzodioxol-5-yloxy)propan-2-yl]-2,6-difluorobenzamide?
N-[1-(1,3-benzodioxol-5-yloxy)propan-2-yl]-2,6-difluorobenzamide has a molecular weight of 335.31 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-benzodioxol-5-yloxy)propan-2-yl]-2,6-difluorobenzamide is sourced from PubChem (CID 23610227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).