[2-(2,4-difluoroanilino)-2-oxoethyl] 4-ethoxybenzoate

C17H15F2NO4 — CID 2356763

IUPAC[2-(2,4-difluoroanilino)-2-oxoethyl] 4-ethoxybenzoate
SMILESCCOc1ccc(C(=O)OCC(=O)Nc2ccc(F)cc2F)cc1
InChIInChI=1S/C17H15F2NO4/c1-2-23-13-6-3-11(4-7-13)17(22)24-10-16(21)20-15-8-5-12(18)9-14(15)19/h3-9H,2,10H2,1H3,(H,20,21)
InChIKeyDKSZMBIKEFVOKI-UHFFFAOYSA-N
MW335.31 g/mol
LogP3.16
Rot. Bonds6

About [2-(2,4-difluoroanilino)-2-oxoethyl] 4-ethoxybenzoate

[2-(2,4-difluoroanilino)-2-oxoethyl] 4-ethoxybenzoate (PubChem CID 2356763) has the molecular formula C17H15F2NO4 and a molecular weight of 335.31 g/mol. Its IUPAC name is [2-(2,4-difluoroanilino)-2-oxoethyl] 4-ethoxybenzoate.

Molecular Properties

Compound Name[2-(2,4-difluoroanilino)-2-oxoethyl] 4-ethoxybenzoate
PubChem CID2356763
Molecular FormulaC17H15F2NO4
Molecular Weight335.31 g/mol
Exact Mass335.10
IUPAC Name[2-(2,4-difluoroanilino)-2-oxoethyl] 4-ethoxybenzoate
SMILESCCOc1ccc(C(=O)OCC(=O)Nc2ccc(F)cc2F)cc1
InChIInChI=1S/C17H15F2NO4/c1-2-23-13-6-3-11(4-7-13)17(22)24-10-16(21)20-15-8-5-12(18)9-14(15)19/h3-9H,2,10H2,1H3,(H,20,21)
InChIKeyDKSZMBIKEFVOKI-UHFFFAOYSA-N
XLogP3.16
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.31
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2,4-difluoroanilino)-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate
CID 7133651
[2-(2-fluoro-4-methylanilino)-2-oxoethyl] 4-butoxybenzoate
CID 8863143
[2-(2-fluoro-4-methylanilino)-2-oxoethyl] 4-propoxybenzoate
CID 7211570
[2-(2,4-difluoroanilino)-2-oxoethyl] 4-(ethylsulfamoyl)benzoate
CID 7828167
[2-(2,4-difluoroanilino)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate
CID 2373388
[2-(4-bromo-2-fluoroanilino)-2-oxoethyl] 4-fluorobenzoate
CID 2627910
N-(2,4-difluorophenyl)-2-(4-methylphenoxy)acetamide
CID 755254
N-(2,5-difluorophenyl)-2-(4-ethoxyphenoxy)acetamide
CID 16552755
[2-(2,5-difluoroanilino)-2-oxoethyl] 2-(4-ethoxyphenoxy)acetate
CID 7273684
[2-(2,5-difluoroanilino)-2-oxoethyl] 4-(4-ethoxyphenyl)-4-oxobutanoate
CID 7133057
[2-(2,4-difluoroanilino)-2-oxoethyl] 4-(difluoromethoxy)-3-methoxybenzoate
CID 2607054
[2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 2-(4-ethoxyphenyl)-1,3-dioxoisoindole-5-carboxylate
CID 42967095

Frequently Asked Questions

What is the IUPAC name of [2-(2,4-difluoroanilino)-2-oxoethyl] 4-ethoxybenzoate?
The IUPAC name of [2-(2,4-difluoroanilino)-2-oxoethyl] 4-ethoxybenzoate (CID 2356763) is [2-(2,4-difluoroanilino)-2-oxoethyl] 4-ethoxybenzoate.
What is the SMILES notation for [2-(2,4-difluoroanilino)-2-oxoethyl] 4-ethoxybenzoate?
The canonical SMILES for [2-(2,4-difluoroanilino)-2-oxoethyl] 4-ethoxybenzoate is CCOc1ccc(C(=O)OCC(=O)Nc2ccc(F)cc2F)cc1.
What is the InChIKey of [2-(2,4-difluoroanilino)-2-oxoethyl] 4-ethoxybenzoate?
The InChIKey is DKSZMBIKEFVOKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2NO4/c1-2-23-13-6-3-11(4-7-13)17(22)24-10-16(21)20-15-8-5-12(18)9-14(15)19/h3-9H,2,10H2,1H3,(H,20,21).
What are the key properties of [2-(2,4-difluoroanilino)-2-oxoethyl] 4-ethoxybenzoate?
[2-(2,4-difluoroanilino)-2-oxoethyl] 4-ethoxybenzoate has a molecular weight of 335.31 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-difluoroanilino)-2-oxoethyl] 4-ethoxybenzoate is sourced from PubChem (CID 2356763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).