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

C18H17F2NO6 — CID 8913003

IUPAC[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(2-methoxyphenoxy)acetate
SMILESCOc1ccccc1OCC(=O)OCC(=O)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C18H17F2NO6/c1-24-14-4-2-3-5-15(14)25-11-17(23)26-10-16(22)21-12-6-8-13(9-7-12)27-18(19)20/h2-9,18H,10-11H2,1H3,(H,21,22)
InChIKeyPHDAKBWTIPAECH-UHFFFAOYSA-N
MW381.33 g/mol
LogP2.86
Rot. Bonds9

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

[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(2-methoxyphenoxy)acetate (PubChem CID 8913003) has the molecular formula C18H17F2NO6 and a molecular weight of 381.33 g/mol. Its IUPAC name is [2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(2-methoxyphenoxy)acetate.

Molecular Properties

Compound Name[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(2-methoxyphenoxy)acetate
PubChem CID8913003
Molecular FormulaC18H17F2NO6
Molecular Weight381.33 g/mol
Exact Mass381.10
IUPAC Name[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(2-methoxyphenoxy)acetate
SMILESCOc1ccccc1OCC(=O)OCC(=O)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C18H17F2NO6/c1-24-14-4-2-3-5-15(14)25-11-17(23)26-10-16(22)21-12-6-8-13(9-7-12)27-18(19)20/h2-9,18H,10-11H2,1H3,(H,21,22)
InChIKeyPHDAKBWTIPAECH-UHFFFAOYSA-N
XLogP2.86
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.33
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(2-tert-butylphenoxy)acetate
CID 8701125
[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-(4-butylanilino)-2-oxoethyl] 2-(2-methoxyphenoxy)acetate
CID 2116755
[2-[4-(cyanomethyl)anilino]-2-oxoethyl] 2-(2-methoxyphenoxy)acetate
CID 7605088
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(3-bromophenoxy)acetate
CID 2388045
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 4-phenoxybutanoate
CID 7185737
N-[4-(difluoromethoxy)phenyl]-2-(5-formyl-2-methoxyphenoxy)acetamide
CID 7612096
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-(2-methoxy-4-methylphenoxy)acetate
CID 4044601

Frequently Asked Questions

What is the IUPAC name of [2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(2-methoxyphenoxy)acetate?
The IUPAC name of [2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(2-methoxyphenoxy)acetate (CID 8913003) is [2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(2-methoxyphenoxy)acetate.
What is the SMILES notation for [2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(2-methoxyphenoxy)acetate?
The canonical SMILES for [2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(2-methoxyphenoxy)acetate is COc1ccccc1OCC(=O)OCC(=O)Nc1ccc(OC(F)F)cc1.
What is the InChIKey of [2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(2-methoxyphenoxy)acetate?
The InChIKey is PHDAKBWTIPAECH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2NO6/c1-24-14-4-2-3-5-15(14)25-11-17(23)26-10-16(22)21-12-6-8-13(9-7-12)27-18(19)20/h2-9,18H,10-11H2,1H3,(H,21,22).
What are the key properties of [2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(2-methoxyphenoxy)acetate?
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(2-methoxyphenoxy)acetate has a molecular weight of 381.33 g/mol, XLogP of 2.86, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(2-methoxyphenoxy)acetate is sourced from PubChem (CID 8913003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).