[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 3-(2-methylphenoxy)propanoate

C19H19F2NO5 — CID 9139967

IUPAC[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 3-(2-methylphenoxy)propanoate
SMILESCc1ccccc1OCCC(=O)OCC(=O)Nc1ccccc1OC(F)F
InChIInChI=1S/C19H19F2NO5/c1-13-6-2-4-8-15(13)25-11-10-18(24)26-12-17(23)22-14-7-3-5-9-16(14)27-19(20)21/h2-9,19H,10-12H2,1H3,(H,22,23)
InChIKeyHOSMCWZITPGGND-UHFFFAOYSA-N
MW379.36 g/mol
LogP3.55
Rot. Bonds9

About [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 3-(2-methylphenoxy)propanoate

[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 3-(2-methylphenoxy)propanoate (PubChem CID 9139967) has the molecular formula C19H19F2NO5 and a molecular weight of 379.36 g/mol. Its IUPAC name is [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 3-(2-methylphenoxy)propanoate.

Molecular Properties

Compound Name[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 3-(2-methylphenoxy)propanoate
PubChem CID9139967
Molecular FormulaC19H19F2NO5
Molecular Weight379.36 g/mol
Exact Mass379.12
IUPAC Name[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 3-(2-methylphenoxy)propanoate
SMILESCc1ccccc1OCCC(=O)OCC(=O)Nc1ccccc1OC(F)F
InChIInChI=1S/C19H19F2NO5/c1-13-6-2-4-8-15(13)25-11-10-18(24)26-12-17(23)22-14-7-3-5-9-16(14)27-19(20)21/h2-9,19H,10-12H2,1H3,(H,22,23)
InChIKeyHOSMCWZITPGGND-UHFFFAOYSA-N
XLogP3.55
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.36
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 3-(4-methylphenoxy)propanoate
CID 7840498
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 4-oxopentanoate
CID 8613385
[2-(2-acetylanilino)-2-oxoethyl] 3-(2-methylphenoxy)propanoate
CID 7841781
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 4-(4-methylphenoxy)butanoate
CID 7147730
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-(2,5-dimethylphenoxy)acetate
CID 40706586
(2-anilino-2-oxoethyl) 3-(2-methylphenoxy)propanoate
CID 9115075
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 3,3-dimethylbutanoate
CID 7950713
[2-(3,4-dimethylanilino)-2-oxoethyl] 3-(2-methylphenoxy)propanoate
CID 7841895
[2-oxo-2-[(2-phenylacetyl)amino]ethyl] 3-(2-methylphenoxy)propanoate
CID 46789070
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-naphthalen-1-yloxyacetate
CID 35775354
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-(2-methoxy-4-methylphenoxy)acetate
CID 4044601
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 3-(3,4-dimethoxyphenyl)propanoate
CID 5196396

Frequently Asked Questions

What is the IUPAC name of [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 3-(2-methylphenoxy)propanoate?
The IUPAC name of [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 3-(2-methylphenoxy)propanoate (CID 9139967) is [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 3-(2-methylphenoxy)propanoate.
What is the SMILES notation for [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 3-(2-methylphenoxy)propanoate?
The canonical SMILES for [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 3-(2-methylphenoxy)propanoate is Cc1ccccc1OCCC(=O)OCC(=O)Nc1ccccc1OC(F)F.
What is the InChIKey of [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 3-(2-methylphenoxy)propanoate?
The InChIKey is HOSMCWZITPGGND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2NO5/c1-13-6-2-4-8-15(13)25-11-10-18(24)26-12-17(23)22-14-7-3-5-9-16(14)27-19(20)21/h2-9,19H,10-12H2,1H3,(H,22,23).
What are the key properties of [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 3-(2-methylphenoxy)propanoate?
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 3-(2-methylphenoxy)propanoate has a molecular weight of 379.36 g/mol, XLogP of 3.55, 9 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] 3-(2-methylphenoxy)propanoate is sourced from PubChem (CID 9139967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).