[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-(2-chlorophenoxy)acetate

C17H14ClF2NO5 — CID 2085749

IUPAC[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-(2-chlorophenoxy)acetate
SMILESO=C(COC(=O)COc1ccccc1Cl)Nc1ccccc1OC(F)F
InChIInChI=1S/C17H14ClF2NO5/c18-11-5-1-3-7-13(11)24-10-16(23)25-9-15(22)21-12-6-2-4-8-14(12)26-17(19)20/h1-8,17H,9-10H2,(H,21,22)
InChIKeyCCTMNERXODMUJJ-UHFFFAOYSA-N
MW385.75 g/mol
LogP3.50
Rot. Bonds8

About [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-(2-chlorophenoxy)acetate

[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-(2-chlorophenoxy)acetate (PubChem CID 2085749) has the molecular formula C17H14ClF2NO5 and a molecular weight of 385.75 g/mol. Its IUPAC name is [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-(2-chlorophenoxy)acetate.

Molecular Properties

Compound Name[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-(2-chlorophenoxy)acetate
PubChem CID2085749
Molecular FormulaC17H14ClF2NO5
Molecular Weight385.75 g/mol
Exact Mass385.05
IUPAC Name[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-(2-chlorophenoxy)acetate
SMILESO=C(COC(=O)COc1ccccc1Cl)Nc1ccccc1OC(F)F
InChIInChI=1S/C17H14ClF2NO5/c18-11-5-1-3-7-13(11)24-10-16(23)25-9-15(22)21-12-6-2-4-8-14(12)26-17(19)20/h1-8,17H,9-10H2,(H,21,22)
InChIKeyCCTMNERXODMUJJ-UHFFFAOYSA-N
XLogP3.50
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.75
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Zinc00711147
CID 1039828
N-(2-chlorophenyl)-2-phenoxyacetamide
CID 309534
N-(3-chloro-4-methoxyphenyl)-2-phenoxyacetamide
CID 838230
(4-{[2-(2,4-Dichlorophenoxy)propanoyl]amino}phenoxy)acetic acid
CID 2950746
N-(3-chlorophenyl)-2-phenoxyacetamide
CID 309613
N-(5-chloro-2-hydroxyphenyl)-2-(2-chlorophenoxy)acetamide
CID 893676
[2-(3-Chloro-4-methoxyanilino)-2-oxoethyl] acetate
CID 2089660
Ethyl [(3-chloro-4-methoxyphenyl)amino](oxo)acetate
CID 2273643
[2-Oxo-2-(2-phenoxyanilino)ethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate
CID 2353415
[2-(4-Methoxyanilino)-2-oxoethyl] 4-(2,4-dichlorophenoxy)butanoate
CID 2357919
[2-[2-(Difluoromethoxy)anilino]-2-oxoethyl] 2-phenoxyacetate
CID 2365200
[2-(3-chloro-4-methoxyanilino)-2-oxoethyl] (E)-but-2-enoate
CID 2370685

Frequently Asked Questions

What is the IUPAC name of [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-(2-chlorophenoxy)acetate?
The IUPAC name of [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-(2-chlorophenoxy)acetate (CID 2085749) is [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-(2-chlorophenoxy)acetate.
What is the SMILES notation for [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-(2-chlorophenoxy)acetate?
The canonical SMILES for [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-(2-chlorophenoxy)acetate is O=C(COC(=O)COc1ccccc1Cl)Nc1ccccc1OC(F)F.
What is the InChIKey of [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-(2-chlorophenoxy)acetate?
The InChIKey is CCTMNERXODMUJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClF2NO5/c18-11-5-1-3-7-13(11)24-10-16(23)25-9-15(22)21-12-6-2-4-8-14(12)26-17(19)20/h1-8,17H,9-10H2,(H,21,22).
What are the key properties of [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-(2-chlorophenoxy)acetate?
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-(2-chlorophenoxy)acetate has a molecular weight of 385.75 g/mol, XLogP of 3.50, 8 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] 2-(2-chlorophenoxy)acetate is sourced from PubChem (CID 2085749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).