[2-(2,6-difluoroanilino)-2-oxoethyl] 2-(4-chlorophenyl)acetate

C16H12ClF2NO3 — CID 2359467

IUPAC[2-(2,6-difluoroanilino)-2-oxoethyl] 2-(4-chlorophenyl)acetate
SMILESO=C(COC(=O)Cc1ccc(Cl)cc1)Nc1c(F)cccc1F
InChIInChI=1S/C16H12ClF2NO3/c17-11-6-4-10(5-7-11)8-15(22)23-9-14(21)20-16-12(18)2-1-3-13(16)19/h1-7H,8-9H2,(H,20,21)
InChIKeyZLHCQUQGWBJFTF-UHFFFAOYSA-N
MW339.73 g/mol
LogP3.34
Rot. Bonds5

About [2-(2,6-difluoroanilino)-2-oxoethyl] 2-(4-chlorophenyl)acetate

[2-(2,6-difluoroanilino)-2-oxoethyl] 2-(4-chlorophenyl)acetate (PubChem CID 2359467) has the molecular formula C16H12ClF2NO3 and a molecular weight of 339.73 g/mol. Its IUPAC name is [2-(2,6-difluoroanilino)-2-oxoethyl] 2-(4-chlorophenyl)acetate.

Molecular Properties

Compound Name[2-(2,6-difluoroanilino)-2-oxoethyl] 2-(4-chlorophenyl)acetate
PubChem CID2359467
Molecular FormulaC16H12ClF2NO3
Molecular Weight339.73 g/mol
Exact Mass339.05
IUPAC Name[2-(2,6-difluoroanilino)-2-oxoethyl] 2-(4-chlorophenyl)acetate
SMILESO=C(COC(=O)Cc1ccc(Cl)cc1)Nc1c(F)cccc1F
InChIInChI=1S/C16H12ClF2NO3/c17-11-6-4-10(5-7-11)8-15(22)23-9-14(21)20-16-12(18)2-1-3-13(16)19/h1-7H,8-9H2,(H,20,21)
InChIKeyZLHCQUQGWBJFTF-UHFFFAOYSA-N
XLogP3.34
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.73
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2,4-Difluoroanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate
CID 2380295
[2-(3-Fluoroanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate
CID 2425033
[2-(2-Chloro-4-fluoroanilino)-2-oxoethyl] 3-cyclopentylpropanoate
CID 2431096
[2-(4-Methylanilino)-2-oxoethyl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate
CID 2335004
[2-(5-Chloro-2-methylanilino)-2-oxoethyl] cyclohexanecarboxylate
CID 2335922
[2-(4-Chloro-2-fluoroanilino)-2-oxoethyl] 3-cyclopentylpropanoate
CID 2355202
[2-(4-Ethylanilino)-2-oxoethyl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate
CID 2356404
[2-(4-Acetamidoanilino)-2-oxoethyl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate
CID 2375779
[2-(2,6-Dichloroanilino)-2-oxoethyl] 2-phenylbutanoate
CID 3484353
[1-(4-Acetamidoanilino)-1-oxopropan-2-yl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate
CID 3490958
[2-[2-Chloro-5-(trifluoromethyl)anilino]-2-oxo-1-phenylethyl] butanoate
CID 4254856
[2-(2,5-Dichloroanilino)-2-oxoethyl] 2-phenylbutanoate
CID 4345007

Frequently Asked Questions

What is the IUPAC name of [2-(2,6-difluoroanilino)-2-oxoethyl] 2-(4-chlorophenyl)acetate?
The IUPAC name of [2-(2,6-difluoroanilino)-2-oxoethyl] 2-(4-chlorophenyl)acetate (CID 2359467) is [2-(2,6-difluoroanilino)-2-oxoethyl] 2-(4-chlorophenyl)acetate.
What is the SMILES notation for [2-(2,6-difluoroanilino)-2-oxoethyl] 2-(4-chlorophenyl)acetate?
The canonical SMILES for [2-(2,6-difluoroanilino)-2-oxoethyl] 2-(4-chlorophenyl)acetate is O=C(COC(=O)Cc1ccc(Cl)cc1)Nc1c(F)cccc1F.
What is the InChIKey of [2-(2,6-difluoroanilino)-2-oxoethyl] 2-(4-chlorophenyl)acetate?
The InChIKey is ZLHCQUQGWBJFTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClF2NO3/c17-11-6-4-10(5-7-11)8-15(22)23-9-14(21)20-16-12(18)2-1-3-13(16)19/h1-7H,8-9H2,(H,20,21).
What are the key properties of [2-(2,6-difluoroanilino)-2-oxoethyl] 2-(4-chlorophenyl)acetate?
[2-(2,6-difluoroanilino)-2-oxoethyl] 2-(4-chlorophenyl)acetate has a molecular weight of 339.73 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-difluoroanilino)-2-oxoethyl] 2-(4-chlorophenyl)acetate is sourced from PubChem (CID 2359467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).