[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-(2,5-dimethylphenoxy)acetate

C19H19F2NO5 — CID 40706586

IUPAC[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-(2,5-dimethylphenoxy)acetate
SMILESCc1ccc(C)c(OCC(=O)OCC(=O)Nc2ccccc2OC(F)F)c1
InChIInChI=1S/C19H19F2NO5/c1-12-7-8-13(2)16(9-12)25-11-18(24)26-10-17(23)22-14-5-3-4-6-15(14)27-19(20)21/h3-9,19H,10-11H2,1-2H3,(H,22,23)
InChIKeyFVFIGBJBGQASBX-UHFFFAOYSA-N
MW379.36 g/mol
LogP3.47
Rot. Bonds8

About [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-(2,5-dimethylphenoxy)acetate

[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-(2,5-dimethylphenoxy)acetate (PubChem CID 40706586) has the molecular formula C19H19F2NO5 and a molecular weight of 379.36 g/mol. Its IUPAC name is [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-(2,5-dimethylphenoxy)acetate.

Molecular Properties

Compound Name[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-(2,5-dimethylphenoxy)acetate
PubChem CID40706586
Molecular FormulaC19H19F2NO5
Molecular Weight379.36 g/mol
Exact Mass379.12
IUPAC Name[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-(2,5-dimethylphenoxy)acetate
SMILESCc1ccc(C)c(OCC(=O)OCC(=O)Nc2ccccc2OC(F)F)c1
InChIInChI=1S/C19H19F2NO5/c1-12-7-8-13(2)16(9-12)25-11-18(24)26-10-17(23)22-14-5-3-4-6-15(14)27-19(20)21/h3-9,19H,10-11H2,1-2H3,(H,22,23)
InChIKeyFVFIGBJBGQASBX-UHFFFAOYSA-N
XLogP3.47
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.36
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-(2-methoxy-4-methylphenoxy)acetate
CID 4044601
[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2-(2,5-dimethylphenoxy)acetate
CID 8919136
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 3-(2-methylphenoxy)propanoate
CID 9139967
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-naphthalen-1-yloxyacetate
CID 35775354
2-(2,5-dimethylphenoxy)-N-[2-[[2-(2,5-dimethylphenoxy)acetyl]amino]phenyl]acetamide
CID 1012654
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 3-(4-methylphenoxy)propanoate
CID 7840498
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 4-(4-methylphenoxy)butanoate
CID 7147730
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-(4-cyanophenoxy)acetate
CID 40576724
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-hydroxy-5-methylbenzoate
CID 7771224
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-(3-acetylphenoxy)acetate
CID 7902950
[2-(2-ethoxyanilino)-2-oxoethyl] 2-(5-methyl-2-propan-2-ylphenoxy)acetate
CID 8924558
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-(4-propanoylphenoxy)acetate
CID 7855020

Frequently Asked Questions

What is the IUPAC name of [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-(2,5-dimethylphenoxy)acetate?
The IUPAC name of [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-(2,5-dimethylphenoxy)acetate (CID 40706586) is [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-(2,5-dimethylphenoxy)acetate.
What is the SMILES notation for [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-(2,5-dimethylphenoxy)acetate?
The canonical SMILES for [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-(2,5-dimethylphenoxy)acetate is Cc1ccc(C)c(OCC(=O)OCC(=O)Nc2ccccc2OC(F)F)c1.
What is the InChIKey of [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-(2,5-dimethylphenoxy)acetate?
The InChIKey is FVFIGBJBGQASBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2NO5/c1-12-7-8-13(2)16(9-12)25-11-18(24)26-10-17(23)22-14-5-3-4-6-15(14)27-19(20)21/h3-9,19H,10-11H2,1-2H3,(H,22,23).
What are the key properties of [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-(2,5-dimethylphenoxy)acetate?
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-(2,5-dimethylphenoxy)acetate has a molecular weight of 379.36 g/mol, XLogP of 3.47, 8 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-(2,5-dimethylphenoxy)acetate is sourced from PubChem (CID 40706586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).