methyl 2-[[2-(2,4-difluorophenoxy)acetyl]amino]benzoate

C16H13F2NO4 — CID 797161

IUPACmethyl 2-[[2-(2,4-difluorophenoxy)acetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)COc1ccc(F)cc1F
InChIInChI=1S/C16H13F2NO4/c1-22-16(21)11-4-2-3-5-13(11)19-15(20)9-23-14-7-6-10(17)8-12(14)18/h2-8H,9H2,1H3,(H,19,20)
InChIKeyBDNWQUPPJJZLDF-UHFFFAOYSA-N
MW321.28 g/mol
LogP2.77
Rot. Bonds5

About methyl 2-[[2-(2,4-difluorophenoxy)acetyl]amino]benzoate

methyl 2-[[2-(2,4-difluorophenoxy)acetyl]amino]benzoate (PubChem CID 797161) has the molecular formula C16H13F2NO4 and a molecular weight of 321.28 g/mol. Its IUPAC name is methyl 2-[[2-(2,4-difluorophenoxy)acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[2-(2,4-difluorophenoxy)acetyl]amino]benzoate
PubChem CID797161
Molecular FormulaC16H13F2NO4
Molecular Weight321.28 g/mol
Exact Mass321.08
IUPAC Namemethyl 2-[[2-(2,4-difluorophenoxy)acetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)COc1ccc(F)cc1F
InChIInChI=1S/C16H13F2NO4/c1-22-16(21)11-4-2-3-5-13(11)19-15(20)9-23-14-7-6-10(17)8-12(14)18/h2-8H,9H2,1H3,(H,19,20)
InChIKeyBDNWQUPPJJZLDF-UHFFFAOYSA-N
XLogP2.77
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.28
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[2-(2,5-difluoroanilino)-2-oxoethoxy]benzoate
CID 7763972
2-(2,4-difluorophenoxy)-N-(2-hydroxyphenyl)acetamide
CID 31984086
N-(2-chlorophenyl)-2-(2,4-difluorophenoxy)acetamide
CID 31854987
methyl 2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]benzoate
CID 1213645
methyl 2-[[2-[2-(2,4-dichlorophenoxy)phenoxy]acetyl]amino]benzoate
CID 57406612
methyl 2-[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]benzoate
CID 19169245
N-(2-benzylphenyl)-2-(2,4-difluorophenoxy)acetamide
CID 31895274
2-(2,4-difluorophenoxy)-N-(2,5-dimethoxyphenyl)acetamide
CID 39908076
2-[[2-(2,4-difluorophenoxy)acetyl]amino]-4,5-dimethoxybenzamide
CID 47085137
2-(2,4-difluorophenoxy)-N'-methylacetohydrazide
CID 116820700
2-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]benzamide
CID 7500273
N-(2,4-difluorophenyl)-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide
CID 26360256

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(2,4-difluorophenoxy)acetyl]amino]benzoate?
The IUPAC name of methyl 2-[[2-(2,4-difluorophenoxy)acetyl]amino]benzoate (CID 797161) is methyl 2-[[2-(2,4-difluorophenoxy)acetyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[2-(2,4-difluorophenoxy)acetyl]amino]benzoate?
The canonical SMILES for methyl 2-[[2-(2,4-difluorophenoxy)acetyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)COc1ccc(F)cc1F.
What is the InChIKey of methyl 2-[[2-(2,4-difluorophenoxy)acetyl]amino]benzoate?
The InChIKey is BDNWQUPPJJZLDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2NO4/c1-22-16(21)11-4-2-3-5-13(11)19-15(20)9-23-14-7-6-10(17)8-12(14)18/h2-8H,9H2,1H3,(H,19,20).
What are the key properties of methyl 2-[[2-(2,4-difluorophenoxy)acetyl]amino]benzoate?
methyl 2-[[2-(2,4-difluorophenoxy)acetyl]amino]benzoate has a molecular weight of 321.28 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(2,4-difluorophenoxy)acetyl]amino]benzoate is sourced from PubChem (CID 797161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).