2-[[2-(2,4-difluorophenoxy)acetyl]amino]-4,5-dimethoxybenzamide

C17H16F2N2O5 — CID 47085137

IUPAC2-[[2-(2,4-difluorophenoxy)acetyl]amino]-4,5-dimethoxybenzamide
SMILESCOc1cc(NC(=O)COc2ccc(F)cc2F)c(C(N)=O)cc1OC
InChIInChI=1S/C17H16F2N2O5/c1-24-14-6-10(17(20)23)12(7-15(14)25-2)21-16(22)8-26-13-4-3-9(18)5-11(13)19/h3-7H,8H2,1-2H3,(H2,20,23)(H,21,22)
InChIKeyZLYQBLOKXLHUDS-UHFFFAOYSA-N
MW366.32 g/mol
LogP2.10
Rot. Bonds7

About 2-[[2-(2,4-difluorophenoxy)acetyl]amino]-4,5-dimethoxybenzamide

2-[[2-(2,4-difluorophenoxy)acetyl]amino]-4,5-dimethoxybenzamide (PubChem CID 47085137) has the molecular formula C17H16F2N2O5 and a molecular weight of 366.32 g/mol. Its IUPAC name is 2-[[2-(2,4-difluorophenoxy)acetyl]amino]-4,5-dimethoxybenzamide.

Molecular Properties

Compound Name2-[[2-(2,4-difluorophenoxy)acetyl]amino]-4,5-dimethoxybenzamide
PubChem CID47085137
Molecular FormulaC17H16F2N2O5
Molecular Weight366.32 g/mol
Exact Mass366.10
IUPAC Name2-[[2-(2,4-difluorophenoxy)acetyl]amino]-4,5-dimethoxybenzamide
SMILESCOc1cc(NC(=O)COc2ccc(F)cc2F)c(C(N)=O)cc1OC
InChIInChI=1S/C17H16F2N2O5/c1-24-14-6-10(17(20)23)12(7-15(14)25-2)21-16(22)8-26-13-4-3-9(18)5-11(13)19/h3-7H,8H2,1-2H3,(H2,20,23)(H,21,22)
InChIKeyZLYQBLOKXLHUDS-UHFFFAOYSA-N
XLogP2.10
TPSA99.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.32
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,4-difluorophenoxy)-N-(2,5-dimethoxyphenyl)acetamide
CID 39908076
2-[[2-(2,3-dichlorophenoxy)acetyl]amino]-4,5-dimethoxybenzamide
CID 122188012
methyl 2-[[2-(2,4-difluorophenoxy)acetyl]amino]benzoate
CID 797161
2-(2,4-difluorophenoxy)-N-(2-hydroxyphenyl)acetamide
CID 31984086
2-(2-bromo-4-fluorophenoxy)-N-(2-chloro-4,5-dimethoxyphenyl)acetamide
CID 16602981
2-(2,4-difluorophenoxy)-N-(4-fluorophenyl)acetamide
CID 580280
methyl 2-(2,4-difluorophenoxy)acetate
CID 23434554
2-(4-bromo-2-fluorophenoxy)-N-(2,4-difluorophenyl)acetamide
CID 2523027
N-(2-chlorophenyl)-2-(2,4-difluorophenoxy)acetamide
CID 31854987
2-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]benzamide
CID 7500273
2-[2-(5-fluoro-2-methylanilino)-2-oxoethoxy]benzamide
CID 18100358
N-(2-acetamido-5-methylphenyl)-2-(2,4-difluorophenoxy)acetamide
CID 131890166

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,4-difluorophenoxy)acetyl]amino]-4,5-dimethoxybenzamide?
The IUPAC name of 2-[[2-(2,4-difluorophenoxy)acetyl]amino]-4,5-dimethoxybenzamide (CID 47085137) is 2-[[2-(2,4-difluorophenoxy)acetyl]amino]-4,5-dimethoxybenzamide.
What is the SMILES notation for 2-[[2-(2,4-difluorophenoxy)acetyl]amino]-4,5-dimethoxybenzamide?
The canonical SMILES for 2-[[2-(2,4-difluorophenoxy)acetyl]amino]-4,5-dimethoxybenzamide is COc1cc(NC(=O)COc2ccc(F)cc2F)c(C(N)=O)cc1OC.
What is the InChIKey of 2-[[2-(2,4-difluorophenoxy)acetyl]amino]-4,5-dimethoxybenzamide?
The InChIKey is ZLYQBLOKXLHUDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N2O5/c1-24-14-6-10(17(20)23)12(7-15(14)25-2)21-16(22)8-26-13-4-3-9(18)5-11(13)19/h3-7H,8H2,1-2H3,(H2,20,23)(H,21,22).
What are the key properties of 2-[[2-(2,4-difluorophenoxy)acetyl]amino]-4,5-dimethoxybenzamide?
2-[[2-(2,4-difluorophenoxy)acetyl]amino]-4,5-dimethoxybenzamide has a molecular weight of 366.32 g/mol, XLogP of 2.10, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,4-difluorophenoxy)acetyl]amino]-4,5-dimethoxybenzamide is sourced from PubChem (CID 47085137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).