[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(2-tert-butylphenoxy)acetate

C21H23F2NO5 — CID 8701125

IUPAC[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(2-tert-butylphenoxy)acetate
SMILESCC(C)(C)c1ccccc1OCC(=O)OCC(=O)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C21H23F2NO5/c1-21(2,3)16-6-4-5-7-17(16)27-13-19(26)28-12-18(25)24-14-8-10-15(11-9-14)29-20(22)23/h4-11,20H,12-13H2,1-3H3,(H,24,25)
InChIKeyXAMCYXYOWLDFOI-UHFFFAOYSA-N
MW407.41 g/mol
LogP4.15
Rot. Bonds8

About [2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(2-tert-butylphenoxy)acetate

[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(2-tert-butylphenoxy)acetate (PubChem CID 8701125) has the molecular formula C21H23F2NO5 and a molecular weight of 407.41 g/mol. Its IUPAC name is [2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(2-tert-butylphenoxy)acetate.

Molecular Properties

Compound Name[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(2-tert-butylphenoxy)acetate
PubChem CID8701125
Molecular FormulaC21H23F2NO5
Molecular Weight407.41 g/mol
Exact Mass407.15
IUPAC Name[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(2-tert-butylphenoxy)acetate
SMILESCC(C)(C)c1ccccc1OCC(=O)OCC(=O)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C21H23F2NO5/c1-21(2,3)16-6-4-5-7-17(16)27-13-19(26)28-12-18(25)24-14-8-10-15(11-9-14)29-20(22)23/h4-11,20H,12-13H2,1-3H3,(H,24,25)
InChIKeyXAMCYXYOWLDFOI-UHFFFAOYSA-N
XLogP4.15
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.41
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(2-tert-butylphenoxy)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(2-methoxyphenoxy)acetate
CID 8913003
[2-(4-acetamidoanilino)-2-oxoethyl] 2-(2-tert-butylphenoxy)acetate
CID 8701080
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-phenoxyacetate
CID 2506763
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-naphthalen-2-yloxyacetate
CID 8821313
N-[4-(difluoromethoxy)phenyl]-2-(2-hydroxyphenoxy)acetamide
CID 78770173
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(4-propan-2-ylphenoxy)acetate
CID 8598019
N-[4-(difluoromethoxy)phenyl]-2-(2-fluorophenoxy)acetamide
CID 4243921
[2-(2-methylsulfanylanilino)-2-oxoethyl] 2-(2-tert-butylphenoxy)acetate
CID 8701050
[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2-(2-tert-butylphenoxy)acetate
CID 8701075
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(3-bromophenoxy)acetate
CID 2388045
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 4-phenoxybutanoate
CID 7185737
[2-(2-methylsulfonylanilino)-2-oxoethyl] 2-(2-tert-butylphenoxy)acetate
CID 9309760

Frequently Asked Questions

What is the IUPAC name of [2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(2-tert-butylphenoxy)acetate?
The IUPAC name of [2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(2-tert-butylphenoxy)acetate (CID 8701125) is [2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(2-tert-butylphenoxy)acetate.
What is the SMILES notation for [2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(2-tert-butylphenoxy)acetate?
The canonical SMILES for [2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(2-tert-butylphenoxy)acetate is CC(C)(C)c1ccccc1OCC(=O)OCC(=O)Nc1ccc(OC(F)F)cc1.
What is the InChIKey of [2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(2-tert-butylphenoxy)acetate?
The InChIKey is XAMCYXYOWLDFOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F2NO5/c1-21(2,3)16-6-4-5-7-17(16)27-13-19(26)28-12-18(25)24-14-8-10-15(11-9-14)29-20(22)23/h4-11,20H,12-13H2,1-3H3,(H,24,25).
What are the key properties of [2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(2-tert-butylphenoxy)acetate?
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(2-tert-butylphenoxy)acetate has a molecular weight of 407.41 g/mol, XLogP of 4.15, 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-(2-tert-butylphenoxy)acetate is sourced from PubChem (CID 8701125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).