[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 2-(2-chlorophenyl)acetate

C17H13ClF3NO4 — CID 8633119

IUPAC[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 2-(2-chlorophenyl)acetate
SMILESO=C(COC(=O)Cc1ccccc1Cl)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C17H13ClF3NO4/c18-14-4-2-1-3-11(14)9-16(24)25-10-15(23)22-12-5-7-13(8-6-12)26-17(19,20)21/h1-8H,9-10H2,(H,22,23)
InChIKeyBYQAIKZDXDVBQE-UHFFFAOYSA-N
MW387.74 g/mol
LogP3.96
Rot. Bonds6

About [2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 2-(2-chlorophenyl)acetate

[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 2-(2-chlorophenyl)acetate (PubChem CID 8633119) has the molecular formula C17H13ClF3NO4 and a molecular weight of 387.74 g/mol. Its IUPAC name is [2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 2-(2-chlorophenyl)acetate.

Molecular Properties

Compound Name[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 2-(2-chlorophenyl)acetate
PubChem CID8633119
Molecular FormulaC17H13ClF3NO4
Molecular Weight387.74 g/mol
Exact Mass387.05
IUPAC Name[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 2-(2-chlorophenyl)acetate
SMILESO=C(COC(=O)Cc1ccccc1Cl)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C17H13ClF3NO4/c18-14-4-2-1-3-11(14)9-16(24)25-10-15(23)22-12-5-7-13(8-6-12)26-17(19,20)21/h1-8H,9-10H2,(H,22,23)
InChIKeyBYQAIKZDXDVBQE-UHFFFAOYSA-N
XLogP3.96
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.74
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-anilino-2-oxoethyl) 2-(2-chlorophenyl)acetate
CID 8633215
1-[(2-chlorophenyl)methyl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 3868161
[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 3-phenylpropanoate
CID 7958308
[2-(3-chloro-4-methylanilino)-2-oxoethyl] 2-(2-chlorophenyl)acetate
CID 8633182
[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 4-chlorobenzoate
CID 2444631
2-(2-ethylphenoxy)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 2711312
[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-(2,6-dichlorophenyl)acetate
CID 7767308
[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 2-(4-ethylphenoxy)acetate
CID 7844920
[2-(2,3-dichloroanilino)-2-oxoethyl] 2-(2-chlorophenyl)acetate
CID 8633362
[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 2-(2-propan-2-ylphenoxy)acetate
CID 7903840
2-(4-chlorophenyl)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 2678277
[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] 2-(2-chlorophenyl)acetate
CID 35777191

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 2-(2-chlorophenyl)acetate?
The IUPAC name of [2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 2-(2-chlorophenyl)acetate (CID 8633119) is [2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 2-(2-chlorophenyl)acetate.
What is the SMILES notation for [2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 2-(2-chlorophenyl)acetate?
The canonical SMILES for [2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 2-(2-chlorophenyl)acetate is O=C(COC(=O)Cc1ccccc1Cl)Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of [2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 2-(2-chlorophenyl)acetate?
The InChIKey is BYQAIKZDXDVBQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClF3NO4/c18-14-4-2-1-3-11(14)9-16(24)25-10-15(23)22-12-5-7-13(8-6-12)26-17(19,20)21/h1-8H,9-10H2,(H,22,23).
What are the key properties of [2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 2-(2-chlorophenyl)acetate?
[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 2-(2-chlorophenyl)acetate has a molecular weight of 387.74 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 2-(2-chlorophenyl)acetate is sourced from PubChem (CID 8633119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).