methyl 2-[2-(2,5-difluoroanilino)-2-oxoethoxy]benzoate

C16H13F2NO4 — CID 7763972

IUPACmethyl 2-[2-(2,5-difluoroanilino)-2-oxoethoxy]benzoate
SMILESCOC(=O)c1ccccc1OCC(=O)Nc1cc(F)ccc1F
InChIInChI=1S/C16H13F2NO4/c1-22-16(21)11-4-2-3-5-14(11)23-9-15(20)19-13-8-10(17)6-7-12(13)18/h2-8H,9H2,1H3,(H,19,20)
InChIKeyGJLZVFZTPJJQTQ-UHFFFAOYSA-N
MW321.28 g/mol
LogP2.77
Rot. Bonds5

About methyl 2-[2-(2,5-difluoroanilino)-2-oxoethoxy]benzoate

methyl 2-[2-(2,5-difluoroanilino)-2-oxoethoxy]benzoate (PubChem CID 7763972) has the molecular formula C16H13F2NO4 and a molecular weight of 321.28 g/mol. Its IUPAC name is methyl 2-[2-(2,5-difluoroanilino)-2-oxoethoxy]benzoate.

Molecular Properties

Compound Namemethyl 2-[2-(2,5-difluoroanilino)-2-oxoethoxy]benzoate
PubChem CID7763972
Molecular FormulaC16H13F2NO4
Molecular Weight321.28 g/mol
Exact Mass321.08
IUPAC Namemethyl 2-[2-(2,5-difluoroanilino)-2-oxoethoxy]benzoate
SMILESCOC(=O)c1ccccc1OCC(=O)Nc1cc(F)ccc1F
InChIInChI=1S/C16H13F2NO4/c1-22-16(21)11-4-2-3-5-14(11)23-9-15(20)19-13-8-10(17)6-7-12(13)18/h2-8H,9H2,1H3,(H,19,20)
InChIKeyGJLZVFZTPJJQTQ-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

2-(2-acetylphenoxy)-N-(2,5-difluorophenyl)acetamide
CID 7859193
methyl 2-[[2-(2,4-difluorophenoxy)acetyl]amino]benzoate
CID 797161
methyl 2-[[2-(2,5-difluoroanilino)-2-oxoethyl]amino]benzoate
CID 37472105
N-(2,5-difluorophenyl)-2-[2-(trifluoromethyl)phenoxy]acetamide
CID 39088986
methyl 2-[2-(2-iodoanilino)-2-oxoethoxy]benzoate
CID 7763964
methyl 2-[2-oxo-2-(2-phenylanilino)ethoxy]benzoate
CID 7763998
2-[2-(5-fluoro-2-methylanilino)-2-oxoethoxy]benzamide
CID 18100358
N-(2,4-difluorophenyl)-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide
CID 26360256
2-(2-chloro-4-fluorophenoxy)-N-(2,5-difluorophenyl)acetamide
CID 30273064
methyl 2,4-difluoro-5-[[2-(2-propoxyphenoxy)acetyl]amino]benzoate
CID 24659294
N-(2,5-difluorophenyl)-2-(2,6-dimethylphenoxy)acetamide
CID 2711364
ethyl 2-[2-(2-chloro-4-fluoroanilino)-2-oxoethoxy]benzoate
CID 7694748

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(2,5-difluoroanilino)-2-oxoethoxy]benzoate?
The IUPAC name of methyl 2-[2-(2,5-difluoroanilino)-2-oxoethoxy]benzoate (CID 7763972) is methyl 2-[2-(2,5-difluoroanilino)-2-oxoethoxy]benzoate.
What is the SMILES notation for methyl 2-[2-(2,5-difluoroanilino)-2-oxoethoxy]benzoate?
The canonical SMILES for methyl 2-[2-(2,5-difluoroanilino)-2-oxoethoxy]benzoate is COC(=O)c1ccccc1OCC(=O)Nc1cc(F)ccc1F.
What is the InChIKey of methyl 2-[2-(2,5-difluoroanilino)-2-oxoethoxy]benzoate?
The InChIKey is GJLZVFZTPJJQTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2NO4/c1-22-16(21)11-4-2-3-5-14(11)23-9-15(20)19-13-8-10(17)6-7-12(13)18/h2-8H,9H2,1H3,(H,19,20).
What are the key properties of methyl 2-[2-(2,5-difluoroanilino)-2-oxoethoxy]benzoate?
methyl 2-[2-(2,5-difluoroanilino)-2-oxoethoxy]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-(2,5-difluoroanilino)-2-oxoethoxy]benzoate is sourced from PubChem (CID 7763972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).