[2-(2,6-difluoroanilino)-2-oxoethyl] 3,5-dimethoxy-4-methylbenzoate

C18H17F2NO5 — CID 2396240

IUPAC[2-(2,6-difluoroanilino)-2-oxoethyl] 3,5-dimethoxy-4-methylbenzoate
SMILESCOc1cc(C(=O)OCC(=O)Nc2c(F)cccc2F)cc(OC)c1C
InChIInChI=1S/C18H17F2NO5/c1-10-14(24-2)7-11(8-15(10)25-3)18(23)26-9-16(22)21-17-12(19)5-4-6-13(17)20/h4-8H,9H2,1-3H3,(H,21,22)
InChIKeyRQMXRLVWDWFOFF-UHFFFAOYSA-N
MW365.33 g/mol
LogP3.09
Rot. Bonds6

About [2-(2,6-difluoroanilino)-2-oxoethyl] 3,5-dimethoxy-4-methylbenzoate

[2-(2,6-difluoroanilino)-2-oxoethyl] 3,5-dimethoxy-4-methylbenzoate (PubChem CID 2396240) has the molecular formula C18H17F2NO5 and a molecular weight of 365.33 g/mol. Its IUPAC name is [2-(2,6-difluoroanilino)-2-oxoethyl] 3,5-dimethoxy-4-methylbenzoate.

Molecular Properties

Compound Name[2-(2,6-difluoroanilino)-2-oxoethyl] 3,5-dimethoxy-4-methylbenzoate
PubChem CID2396240
Molecular FormulaC18H17F2NO5
Molecular Weight365.33 g/mol
Exact Mass365.11
IUPAC Name[2-(2,6-difluoroanilino)-2-oxoethyl] 3,5-dimethoxy-4-methylbenzoate
SMILESCOc1cc(C(=O)OCC(=O)Nc2c(F)cccc2F)cc(OC)c1C
InChIInChI=1S/C18H17F2NO5/c1-10-14(24-2)7-11(8-15(10)25-3)18(23)26-9-16(22)21-17-12(19)5-4-6-13(17)20/h4-8H,9H2,1-3H3,(H,21,22)
InChIKeyRQMXRLVWDWFOFF-UHFFFAOYSA-N
XLogP3.09
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.33
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2,6-difluoroanilino)-2-oxoethyl] 3,4-dimethoxybenzoate
CID 2592169
[2-(2,6-difluoroanilino)-2-oxoethyl] 4-(difluoromethoxy)-3-methoxybenzoate
CID 2607065
[2-(2,6-difluoroanilino)-2-oxoethyl] 6-methylpyridine-3-carboxylate
CID 18149612
[2-(2,6-difluoroanilino)-2-oxoethyl] 3-hydroxybenzoate
CID 2628769
N-(2,6-difluorophenyl)-2-(2-methoxyphenoxy)acetamide
CID 970586
[2-(2,6-difluoroanilino)-2-oxoethyl] 3-ethoxy-4-propoxybenzoate
CID 7556805
[2-(2,6-difluoroanilino)-2-oxoethyl] 3-(trifluoromethyl)benzoate
CID 2504414
[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 3,5-dimethoxy-4-methylbenzoate
CID 34768194
[2-(2,6-difluoroanilino)-2-oxoethyl] 3-(methylsulfamoyl)benzoate
CID 2607644
[2-(2,6-dimethylanilino)-2-oxoethyl] 4-(difluoromethoxy)-3-methoxybenzoate
CID 7214372
[2-(2,6-difluoroanilino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 7846854
[2-(2,6-dimethylanilino)-2-oxoethyl] 3-fluoro-4-methylbenzoate
CID 9386525

Frequently Asked Questions

What is the IUPAC name of [2-(2,6-difluoroanilino)-2-oxoethyl] 3,5-dimethoxy-4-methylbenzoate?
The IUPAC name of [2-(2,6-difluoroanilino)-2-oxoethyl] 3,5-dimethoxy-4-methylbenzoate (CID 2396240) is [2-(2,6-difluoroanilino)-2-oxoethyl] 3,5-dimethoxy-4-methylbenzoate.
What is the SMILES notation for [2-(2,6-difluoroanilino)-2-oxoethyl] 3,5-dimethoxy-4-methylbenzoate?
The canonical SMILES for [2-(2,6-difluoroanilino)-2-oxoethyl] 3,5-dimethoxy-4-methylbenzoate is COc1cc(C(=O)OCC(=O)Nc2c(F)cccc2F)cc(OC)c1C.
What is the InChIKey of [2-(2,6-difluoroanilino)-2-oxoethyl] 3,5-dimethoxy-4-methylbenzoate?
The InChIKey is RQMXRLVWDWFOFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2NO5/c1-10-14(24-2)7-11(8-15(10)25-3)18(23)26-9-16(22)21-17-12(19)5-4-6-13(17)20/h4-8H,9H2,1-3H3,(H,21,22).
What are the key properties of [2-(2,6-difluoroanilino)-2-oxoethyl] 3,5-dimethoxy-4-methylbenzoate?
[2-(2,6-difluoroanilino)-2-oxoethyl] 3,5-dimethoxy-4-methylbenzoate has a molecular weight of 365.33 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-difluoroanilino)-2-oxoethyl] 3,5-dimethoxy-4-methylbenzoate is sourced from PubChem (CID 2396240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).