N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2,3,4-trimethoxybenzamide

C17H15F2NO6 — CID 26954091

IUPACN-(2,2-difluoro-1,3-benzodioxol-5-yl)-2,3,4-trimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc3c(c2)OC(F)(F)O3)c(OC)c1OC
InChIInChI=1S/C17H15F2NO6/c1-22-12-7-5-10(14(23-2)15(12)24-3)16(21)20-9-4-6-11-13(8-9)26-17(18,19)25-11/h4-8H,1-3H3,(H,20,21)
InChIKeyBOYFSJPYNVYKAT-UHFFFAOYSA-N
MW367.30 g/mol
LogP3.29
Rot. Bonds5

About N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2,3,4-trimethoxybenzamide

N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2,3,4-trimethoxybenzamide (PubChem CID 26954091) has the molecular formula C17H15F2NO6 and a molecular weight of 367.30 g/mol. Its IUPAC name is N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2,3,4-trimethoxybenzamide.

Molecular Properties

Compound NameN-(2,2-difluoro-1,3-benzodioxol-5-yl)-2,3,4-trimethoxybenzamide
PubChem CID26954091
Molecular FormulaC17H15F2NO6
Molecular Weight367.30 g/mol
Exact Mass367.09
IUPAC NameN-(2,2-difluoro-1,3-benzodioxol-5-yl)-2,3,4-trimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc3c(c2)OC(F)(F)O3)c(OC)c1OC
InChIInChI=1S/C17H15F2NO6/c1-22-12-7-5-10(14(23-2)15(12)24-3)16(21)20-9-4-6-11-13(8-9)26-17(18,19)25-11/h4-8H,1-3H3,(H,20,21)
InChIKeyBOYFSJPYNVYKAT-UHFFFAOYSA-N
XLogP3.29
TPSA75.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.30
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,3-dimethoxy-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylbenzamide
CID 29293162
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-(ethoxymethyl)-4-methoxybenzamide
CID 24516145
N-(4-chlorophenyl)-2,3,4-trimethoxybenzamide
CID 4794471
methyl 2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-2-oxoacetate
CID 112616624
2-amino-N-[4-[(2,2-difluoro-1,3-benzodioxol-5-yl)carbamoyl]-6-methoxy-3-pyridinyl]-4-methoxypyridine-3-carboxamide
CID 177031583
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-6-methoxypyridine-3-carboxamide
CID 24532820
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(3,4-dimethoxyphenyl)-4-oxobutanamide
CID 38712079
2,3,4-trimethoxy-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 7768109
N-(2-ethyl-2-methyl-1,3-benzodioxol-5-yl)-3,4,5-trimethoxybenzamide
CID 16766246
N-[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)carbamoyl]-5-methoxyphenyl]-6-methoxy-2-methyl-1,3-benzothiazole-7-carboxamide;3,5-dimethyloxane
CID 177139420
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-sulfanylbenzamide
CID 107020546
2-methyl-2-[4-[(2,3,4-trimethoxybenzoyl)amino]phenyl]propanoic acid
CID 119254386

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2,3,4-trimethoxybenzamide?
The IUPAC name of N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2,3,4-trimethoxybenzamide (CID 26954091) is N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2,3,4-trimethoxybenzamide.
What is the SMILES notation for N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2,3,4-trimethoxybenzamide?
The canonical SMILES for N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2,3,4-trimethoxybenzamide is COc1ccc(C(=O)Nc2ccc3c(c2)OC(F)(F)O3)c(OC)c1OC.
What is the InChIKey of N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2,3,4-trimethoxybenzamide?
The InChIKey is BOYFSJPYNVYKAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2NO6/c1-22-12-7-5-10(14(23-2)15(12)24-3)16(21)20-9-4-6-11-13(8-9)26-17(18,19)25-11/h4-8H,1-3H3,(H,20,21).
What are the key properties of N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2,3,4-trimethoxybenzamide?
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2,3,4-trimethoxybenzamide has a molecular weight of 367.30 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2,3,4-trimethoxybenzamide is sourced from PubChem (CID 26954091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).