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

C17H15F2NO5 — CID 2506763

IUPAC[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-phenoxyacetate
SMILESO=C(COC(=O)COc1ccccc1)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C17H15F2NO5/c18-17(19)25-14-8-6-12(7-9-14)20-15(21)10-24-16(22)11-23-13-4-2-1-3-5-13/h1-9,17H,10-11H2,(H,20,21)
InChIKeyWYLUBSHTWMKEHX-UHFFFAOYSA-N
MW351.31 g/mol
LogP2.85
Rot. Bonds8

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

[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-phenoxyacetate (PubChem CID 2506763) has the molecular formula C17H15F2NO5 and a molecular weight of 351.31 g/mol. Its IUPAC name is [2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-phenoxyacetate.

Molecular Properties

Compound Name[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-phenoxyacetate
PubChem CID2506763
Molecular FormulaC17H15F2NO5
Molecular Weight351.31 g/mol
Exact Mass351.09
IUPAC Name[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-phenoxyacetate
SMILESO=C(COC(=O)COc1ccccc1)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C17H15F2NO5/c18-17(19)25-14-8-6-12(7-9-14)20-15(21)10-24-16(22)11-23-13-4-2-1-3-5-13/h1-9,17H,10-11H2,(H,20,21)
InChIKeyWYLUBSHTWMKEHX-UHFFFAOYSA-N
XLogP2.85
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.31
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 4-phenoxybutanoate
CID 7185737
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-naphthalen-2-yloxyacetate
CID 8821313
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(4-propan-2-ylphenoxy)acetate
CID 8598019
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(3-bromophenoxy)acetate
CID 2388045
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(2-methoxyphenoxy)acetate
CID 8913003
[2-(4-fluoroanilino)-2-oxoethyl] 2-phenoxyacetate
CID 2485751
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(2-tert-butylphenoxy)acetate
CID 8701125
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(4-phenylphenyl)acetate
CID 7703768
N-[4-(difluoromethoxy)phenyl]-4-phenoxybutanamide
CID 112793225
N-[4-(difluoromethoxy)phenyl]-2-(3-fluorophenoxy)acetamide
CID 2709478
N-[4-(difluoromethoxy)phenyl]-2-(2-hydroxyphenoxy)acetamide
CID 78770173
N-[4-(difluoromethoxy)phenyl]-2-(3-methoxyphenoxy)acetamide
CID 2323436

Frequently Asked Questions

What is the IUPAC name of [2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-phenoxyacetate?
The IUPAC name of [2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-phenoxyacetate (CID 2506763) is [2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-phenoxyacetate.
What is the SMILES notation for [2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-phenoxyacetate?
The canonical SMILES for [2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-phenoxyacetate is O=C(COC(=O)COc1ccccc1)Nc1ccc(OC(F)F)cc1.
What is the InChIKey of [2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-phenoxyacetate?
The InChIKey is WYLUBSHTWMKEHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2NO5/c18-17(19)25-14-8-6-12(7-9-14)20-15(21)10-24-16(22)11-23-13-4-2-1-3-5-13/h1-9,17H,10-11H2,(H,20,21).
What are the key properties of [2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-phenoxyacetate?
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-phenoxyacetate has a molecular weight of 351.31 g/mol, XLogP of 2.85, 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] 2-phenoxyacetate is sourced from PubChem (CID 2506763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).