[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 4-ethoxybenzoate

C18H17F2NO5 — CID 8580671

IUPAC[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 4-ethoxybenzoate
SMILESCCOc1ccc(C(=O)OCC(=O)Nc2ccc(OC(F)F)cc2)cc1
InChIInChI=1S/C18H17F2NO5/c1-2-24-14-7-3-12(4-8-14)17(23)25-11-16(22)21-13-5-9-15(10-6-13)26-18(19)20/h3-10,18H,2,11H2,1H3,(H,21,22)
InChIKeyXYRIIURLHSMZPQ-UHFFFAOYSA-N
MW365.33 g/mol
LogP3.48
Rot. Bonds8

About [2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 4-ethoxybenzoate

[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 4-ethoxybenzoate (PubChem CID 8580671) has the molecular formula C18H17F2NO5 and a molecular weight of 365.33 g/mol. Its IUPAC name is [2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 4-ethoxybenzoate.

Molecular Properties

Compound Name[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 4-ethoxybenzoate
PubChem CID8580671
Molecular FormulaC18H17F2NO5
Molecular Weight365.33 g/mol
Exact Mass365.11
IUPAC Name[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 4-ethoxybenzoate
SMILESCCOc1ccc(C(=O)OCC(=O)Nc2ccc(OC(F)F)cc2)cc1
InChIInChI=1S/C18H17F2NO5/c1-2-24-14-7-3-12(4-8-14)17(23)25-11-16(22)21-13-5-9-15(10-6-13)26-18(19)20/h3-10,18H,2,11H2,1H3,(H,21,22)
InChIKeyXYRIIURLHSMZPQ-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-(4-ethoxyanilino)-2-oxoethyl] 4-(difluoromethoxy)-3-ethoxybenzoate
CID 7712285
[2-(4-ethoxyanilino)-2-oxoethyl] 4-(difluoromethylsulfonyl)benzoate
CID 7680166
[2-(4-ethoxyanilino)-2-oxoethyl] 4-propoxybenzoate
CID 7211928
[2-(4-chloroanilino)-2-oxoethyl] 4-ethoxybenzoate
CID 7574746
[2-(4-ethoxyanilino)-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate
CID 7133676
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 4-(2,5-dimethylpyrrol-1-yl)benzoate
CID 7274917
[2-(4-ethoxyanilino)-2-oxoethyl] 2-(difluoromethoxy)benzoate
CID 2691792
[2-(3,5-dimethoxyanilino)-2-oxoethyl] 4-(difluoromethoxy)benzoate
CID 2613656
[2-oxo-2-(4-sulfamoylanilino)ethyl] 4-ethoxybenzoate
CID 2563718
ethyl 4-[[4-(difluoromethoxy)benzoyl]amino]benzoate
CID 2677138
[2-[4-[(4-ethoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 4-bromobenzoate
CID 55318570
[2-(methylamino)-2-oxoethyl] 4-(difluoromethoxy)benzoate
CID 7569623

Frequently Asked Questions

What is the IUPAC name of [2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 4-ethoxybenzoate?
The IUPAC name of [2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 4-ethoxybenzoate (CID 8580671) is [2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 4-ethoxybenzoate.
What is the SMILES notation for [2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 4-ethoxybenzoate?
The canonical SMILES for [2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 4-ethoxybenzoate is CCOc1ccc(C(=O)OCC(=O)Nc2ccc(OC(F)F)cc2)cc1.
What is the InChIKey of [2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 4-ethoxybenzoate?
The InChIKey is XYRIIURLHSMZPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2NO5/c1-2-24-14-7-3-12(4-8-14)17(23)25-11-16(22)21-13-5-9-15(10-6-13)26-18(19)20/h3-10,18H,2,11H2,1H3,(H,21,22).
What are the key properties of [2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 4-ethoxybenzoate?
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 4-ethoxybenzoate 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-(difluoromethoxy)anilino]-2-oxoethyl] 4-ethoxybenzoate is sourced from PubChem (CID 8580671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).