[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-(2-methoxy-4-methylphenoxy)acetate

C19H19F2NO6 — CID 4044601

IUPAC[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-(2-methoxy-4-methylphenoxy)acetate
SMILESCOc1cc(C)ccc1OCC(=O)OCC(=O)Nc1ccccc1OC(F)F
InChIInChI=1S/C19H19F2NO6/c1-12-7-8-15(16(9-12)25-2)26-11-18(24)27-10-17(23)22-13-5-3-4-6-14(13)28-19(20)21/h3-9,19H,10-11H2,1-2H3,(H,22,23)
InChIKeyRREJJRIOSQNQLR-UHFFFAOYSA-N
MW395.36 g/mol
LogP3.17
Rot. Bonds9

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

[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-(2-methoxy-4-methylphenoxy)acetate (PubChem CID 4044601) has the molecular formula C19H19F2NO6 and a molecular weight of 395.36 g/mol. Its IUPAC name is [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-(2-methoxy-4-methylphenoxy)acetate.

Molecular Properties

Compound Name[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-(2-methoxy-4-methylphenoxy)acetate
PubChem CID4044601
Molecular FormulaC19H19F2NO6
Molecular Weight395.36 g/mol
Exact Mass395.12
IUPAC Name[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-(2-methoxy-4-methylphenoxy)acetate
SMILESCOc1cc(C)ccc1OCC(=O)OCC(=O)Nc1ccccc1OC(F)F
InChIInChI=1S/C19H19F2NO6/c1-12-7-8-15(16(9-12)25-2)26-11-18(24)27-10-17(23)22-13-5-3-4-6-14(13)28-19(20)21/h3-9,19H,10-11H2,1-2H3,(H,22,23)
InChIKeyRREJJRIOSQNQLR-UHFFFAOYSA-N
XLogP3.17
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.36
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-(2,5-dimethylphenoxy)acetate
CID 40706586
[2-(2-methoxyanilino)-2-oxoethyl] 2-(2-chloro-5-methylphenoxy)acetate
CID 7234832
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 3-(3,4-dimethoxyphenyl)propanoate
CID 5196396
[2-(2-benzylanilino)-2-oxoethyl] 2-(2-methoxy-4-methylphenoxy)acetate
CID 29342398
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-naphthalen-1-yloxyacetate
CID 35775354
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 3-(4-methylphenoxy)propanoate
CID 7840498
[2-oxo-2-[2-(1-phenylethylcarbamoyl)anilino]ethyl] 2-(2-methoxy-4-methylphenoxy)acetate
CID 55326852
N-[2-(difluoromethylsulfanyl)phenyl]-2-(2-methoxy-4-methylphenoxy)acetamide
CID 31523995
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 4-(4-methylphenoxy)butanoate
CID 7147730
2-(2-methoxy-4-methylphenoxy)-N-(2-phenoxyphenyl)acetamide
CID 35079349
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-hydroxy-5-methylbenzoate
CID 7771224
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-(3-acetylphenoxy)acetate
CID 7902950

Frequently Asked Questions

What is the IUPAC name of [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-(2-methoxy-4-methylphenoxy)acetate?
The IUPAC name of [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-(2-methoxy-4-methylphenoxy)acetate (CID 4044601) is [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-(2-methoxy-4-methylphenoxy)acetate.
What is the SMILES notation for [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-(2-methoxy-4-methylphenoxy)acetate?
The canonical SMILES for [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-(2-methoxy-4-methylphenoxy)acetate is COc1cc(C)ccc1OCC(=O)OCC(=O)Nc1ccccc1OC(F)F.
What is the InChIKey of [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-(2-methoxy-4-methylphenoxy)acetate?
The InChIKey is RREJJRIOSQNQLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2NO6/c1-12-7-8-15(16(9-12)25-2)26-11-18(24)27-10-17(23)22-13-5-3-4-6-14(13)28-19(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-methoxy-4-methylphenoxy)acetate?
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-(2-methoxy-4-methylphenoxy)acetate has a molecular weight of 395.36 g/mol, XLogP of 3.17, 9 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-(2-methoxy-4-methylphenoxy)acetate is sourced from PubChem (CID 4044601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).