[2-(4-ethoxyanilino)-2-oxoethyl] 2-(difluoromethoxy)benzoate

C18H17F2NO5 — CID 2691792

IUPAC[2-(4-ethoxyanilino)-2-oxoethyl] 2-(difluoromethoxy)benzoate
SMILESCCOc1ccc(NC(=O)COC(=O)c2ccccc2OC(F)F)cc1
InChIInChI=1S/C18H17F2NO5/c1-2-24-13-9-7-12(8-10-13)21-16(22)11-25-17(23)14-5-3-4-6-15(14)26-18(19)20/h3-10,18H,2,11H2,1H3,(H,21,22)
InChIKeyGXOVVIAGCOEHIU-UHFFFAOYSA-N
MW365.33 g/mol
LogP3.48
Rot. Bonds8

About [2-(4-ethoxyanilino)-2-oxoethyl] 2-(difluoromethoxy)benzoate

[2-(4-ethoxyanilino)-2-oxoethyl] 2-(difluoromethoxy)benzoate (PubChem CID 2691792) has the molecular formula C18H17F2NO5 and a molecular weight of 365.33 g/mol. Its IUPAC name is [2-(4-ethoxyanilino)-2-oxoethyl] 2-(difluoromethoxy)benzoate.

Molecular Properties

Compound Name[2-(4-ethoxyanilino)-2-oxoethyl] 2-(difluoromethoxy)benzoate
PubChem CID2691792
Molecular FormulaC18H17F2NO5
Molecular Weight365.33 g/mol
Exact Mass365.11
IUPAC Name[2-(4-ethoxyanilino)-2-oxoethyl] 2-(difluoromethoxy)benzoate
SMILESCCOc1ccc(NC(=O)COC(=O)c2ccccc2OC(F)F)cc1
InChIInChI=1S/C18H17F2NO5/c1-2-24-13-9-7-12(8-10-13)21-16(22)11-25-17(23)14-5-3-4-6-15(14)26-18(19)20/h3-10,18H,2,11H2,1H3,(H,21,22)
InChIKeyGXOVVIAGCOEHIU-UHFFFAOYSA-N
XLogP3.48
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.33
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(3,4-diethoxyanilino)-2-oxoethyl] 2-(difluoromethoxy)benzoate
CID 7609685
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 4-ethoxybenzoate
CID 8580671
[2-(4-ethoxyanilino)-2-oxoethyl] 4-(difluoromethoxy)-3-ethoxybenzoate
CID 7712285
[2-oxo-2-(phenylcarbamoylamino)ethyl] 2-(difluoromethoxy)benzoate
CID 8539985
[2-(3-fluoroanilino)-2-oxoethyl] 2-(difluoromethoxy)benzoate
CID 2691652
[2-(3-chloro-4-fluoroanilino)-2-oxoethyl] 2-(difluoromethoxy)benzoate
CID 2691735
[2-(4-ethoxyanilino)-2-oxoethyl] 2-[(S)-ethylsulfinyl]benzoate
CID 11916256
[2-(2-methylpropylamino)-2-oxoethyl] 2-(difluoromethoxy)benzoate
CID 55327251
[2-(2-ethoxyanilino)-2-oxoethyl] 2-(4-ethoxyanilino)pyridine-3-carboxylate
CID 42967523
1-[[2-(difluoromethoxy)phenyl]methyl]-3-(4-ethoxyphenyl)urea
CID 74225609
[2-(3,4-diethoxyanilino)-2-oxoethyl] 2-methoxybenzoate
CID 7485668
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(difluoromethoxy)benzoate
CID 7609921

Frequently Asked Questions

What is the IUPAC name of [2-(4-ethoxyanilino)-2-oxoethyl] 2-(difluoromethoxy)benzoate?
The IUPAC name of [2-(4-ethoxyanilino)-2-oxoethyl] 2-(difluoromethoxy)benzoate (CID 2691792) is [2-(4-ethoxyanilino)-2-oxoethyl] 2-(difluoromethoxy)benzoate.
What is the SMILES notation for [2-(4-ethoxyanilino)-2-oxoethyl] 2-(difluoromethoxy)benzoate?
The canonical SMILES for [2-(4-ethoxyanilino)-2-oxoethyl] 2-(difluoromethoxy)benzoate is CCOc1ccc(NC(=O)COC(=O)c2ccccc2OC(F)F)cc1.
What is the InChIKey of [2-(4-ethoxyanilino)-2-oxoethyl] 2-(difluoromethoxy)benzoate?
The InChIKey is GXOVVIAGCOEHIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2NO5/c1-2-24-13-9-7-12(8-10-13)21-16(22)11-25-17(23)14-5-3-4-6-15(14)26-18(19)20/h3-10,18H,2,11H2,1H3,(H,21,22).
What are the key properties of [2-(4-ethoxyanilino)-2-oxoethyl] 2-(difluoromethoxy)benzoate?
[2-(4-ethoxyanilino)-2-oxoethyl] 2-(difluoromethoxy)benzoate has a molecular weight of 365.33 g/mol, XLogP of 3.48, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-ethoxyanilino)-2-oxoethyl] 2-(difluoromethoxy)benzoate is sourced from PubChem (CID 2691792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).