[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-benzo[e][1]benzofuran-1-ylacetate

C23H17F2NO5 — CID 29219272

IUPAC[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-benzo[e][1]benzofuran-1-ylacetate
SMILESO=C(COC(=O)Cc1coc2ccc3ccccc3c12)Nc1ccccc1OC(F)F
InChIInChI=1S/C23H17F2NO5/c24-23(25)31-18-8-4-3-7-17(18)26-20(27)13-30-21(28)11-15-12-29-19-10-9-14-5-1-2-6-16(14)22(15)19/h1-10,12,23H,11,13H2,(H,26,27)
InChIKeyJJXZAEAOHPBTDG-UHFFFAOYSA-N
MW425.39 g/mol
LogP4.91
Rot. Bonds7

About [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-benzo[e][1]benzofuran-1-ylacetate

[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-benzo[e][1]benzofuran-1-ylacetate (PubChem CID 29219272) has the molecular formula C23H17F2NO5 and a molecular weight of 425.39 g/mol. Its IUPAC name is [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-benzo[e][1]benzofuran-1-ylacetate.

Molecular Properties

Compound Name[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-benzo[e][1]benzofuran-1-ylacetate
PubChem CID29219272
Molecular FormulaC23H17F2NO5
Molecular Weight425.39 g/mol
Exact Mass425.11
IUPAC Name[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-benzo[e][1]benzofuran-1-ylacetate
SMILESO=C(COC(=O)Cc1coc2ccc3ccccc3c12)Nc1ccccc1OC(F)F
InChIInChI=1S/C23H17F2NO5/c24-23(25)31-18-8-4-3-7-17(18)26-20(27)13-30-21(28)11-15-12-29-19-10-9-14-5-1-2-6-16(14)22(15)19/h1-10,12,23H,11,13H2,(H,26,27)
InChIKeyJJXZAEAOHPBTDG-UHFFFAOYSA-N
XLogP4.91
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.39
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(benzylamino)-2-oxoethyl] 2-benzo[e][1]benzofuran-1-ylacetate
CID 8525654
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-naphthalen-1-yloxyacetate
CID 35775354
[2-(4-methoxyanilino)-2-oxoethyl] 2-benzo[e][1]benzofuran-1-ylacetate
CID 8525646
[2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-benzo[e][1]benzofuran-1-ylacetate
CID 8525666
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-benzo[e][1]benzofuran-1-ylacetate
CID 2417416
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate
CID 2399542
[2-oxo-2-(propylcarbamoylamino)ethyl] 2-benzo[e][1]benzofuran-1-ylacetate
CID 7901803
[2-(cyclopropylcarbamoylamino)-2-oxoethyl] 2-benzo[e][1]benzofuran-1-ylacetate
CID 8525572
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 4-oxopentanoate
CID 8613385
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 3,3-dimethylbutanoate
CID 7950713
2-benzo[e][1]benzofuran-1-yl-N-(2-chlorophenyl)acetamide
CID 829773
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate
CID 7724605

Frequently Asked Questions

What is the IUPAC name of [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-benzo[e][1]benzofuran-1-ylacetate?
The IUPAC name of [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-benzo[e][1]benzofuran-1-ylacetate (CID 29219272) is [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-benzo[e][1]benzofuran-1-ylacetate.
What is the SMILES notation for [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-benzo[e][1]benzofuran-1-ylacetate?
The canonical SMILES for [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-benzo[e][1]benzofuran-1-ylacetate is O=C(COC(=O)Cc1coc2ccc3ccccc3c12)Nc1ccccc1OC(F)F.
What is the InChIKey of [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-benzo[e][1]benzofuran-1-ylacetate?
The InChIKey is JJXZAEAOHPBTDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F2NO5/c24-23(25)31-18-8-4-3-7-17(18)26-20(27)13-30-21(28)11-15-12-29-19-10-9-14-5-1-2-6-16(14)22(15)19/h1-10,12,23H,11,13H2,(H,26,27).
What are the key properties of [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-benzo[e][1]benzofuran-1-ylacetate?
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-benzo[e][1]benzofuran-1-ylacetate has a molecular weight of 425.39 g/mol, XLogP of 4.91, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-benzo[e][1]benzofuran-1-ylacetate is sourced from PubChem (CID 29219272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).