[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-(4-propanoylphenoxy)acetate

C20H19F2NO6 — CID 7855020

IUPAC[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-(4-propanoylphenoxy)acetate
SMILESCCC(=O)c1ccc(OCC(=O)OCC(=O)Nc2ccccc2OC(F)F)cc1
InChIInChI=1S/C20H19F2NO6/c1-2-16(24)13-7-9-14(10-8-13)27-12-19(26)28-11-18(25)23-15-5-3-4-6-17(15)29-20(21)22/h3-10,20H,2,11-12H2,1H3,(H,23,25)
InChIKeyLUBHXHJCNSRUKI-UHFFFAOYSA-N
MW407.37 g/mol
LogP3.44
Rot. Bonds10

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

[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-(4-propanoylphenoxy)acetate (PubChem CID 7855020) has the molecular formula C20H19F2NO6 and a molecular weight of 407.37 g/mol. Its IUPAC name is [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-(4-propanoylphenoxy)acetate.

Molecular Properties

Compound Name[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-(4-propanoylphenoxy)acetate
PubChem CID7855020
Molecular FormulaC20H19F2NO6
Molecular Weight407.37 g/mol
Exact Mass407.12
IUPAC Name[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-(4-propanoylphenoxy)acetate
SMILESCCC(=O)c1ccc(OCC(=O)OCC(=O)Nc2ccccc2OC(F)F)cc1
InChIInChI=1S/C20H19F2NO6/c1-2-16(24)13-7-9-14(10-8-13)27-12-19(26)28-11-18(25)23-15-5-3-4-6-17(15)29-20(21)22/h3-10,20H,2,11-12H2,1H3,(H,23,25)
InChIKeyLUBHXHJCNSRUKI-UHFFFAOYSA-N
XLogP3.44
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.37
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-(4-cyanophenoxy)acetate
CID 40576724
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-(3-acetylphenoxy)acetate
CID 7902950
[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-naphthalen-1-yloxyacetate
CID 35775354
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-(2,5-dimethylphenoxy)acetate
CID 40706586
[2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate
CID 40719319
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 3,3-dimethylbutanoate
CID 7950713
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 4-oxopentanoate
CID 8613385
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 3,4-diethoxybenzoate
CID 2397865
[2-(2-fluoro-4-methylanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate
CID 9326061
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-(2-methoxy-4-methylphenoxy)acetate
CID 4044601

Frequently Asked Questions

What is the IUPAC name of [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-(4-propanoylphenoxy)acetate?
The IUPAC name of [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-(4-propanoylphenoxy)acetate (CID 7855020) is [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-(4-propanoylphenoxy)acetate.
What is the SMILES notation for [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-(4-propanoylphenoxy)acetate?
The canonical SMILES for [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-(4-propanoylphenoxy)acetate is CCC(=O)c1ccc(OCC(=O)OCC(=O)Nc2ccccc2OC(F)F)cc1.
What is the InChIKey of [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-(4-propanoylphenoxy)acetate?
The InChIKey is LUBHXHJCNSRUKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2NO6/c1-2-16(24)13-7-9-14(10-8-13)27-12-19(26)28-11-18(25)23-15-5-3-4-6-17(15)29-20(21)22/h3-10,20H,2,11-12H2,1H3,(H,23,25).
What are the key properties of [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-(4-propanoylphenoxy)acetate?
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-(4-propanoylphenoxy)acetate has a molecular weight of 407.37 g/mol, XLogP of 3.44, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-(4-propanoylphenoxy)acetate is sourced from PubChem (CID 7855020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).