[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 3-phenylpropanoate

C18H16F3NO4 — CID 7958308

IUPAC[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 3-phenylpropanoate
SMILESO=C(COC(=O)CCc1ccccc1)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C18H16F3NO4/c19-18(20,21)26-15-9-7-14(8-10-15)22-16(23)12-25-17(24)11-6-13-4-2-1-3-5-13/h1-5,7-10H,6,11-12H2,(H,22,23)
InChIKeyPXDAHYIBAGZALI-UHFFFAOYSA-N
MW367.32 g/mol
LogP3.70
Rot. Bonds7

About [2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 3-phenylpropanoate

[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 3-phenylpropanoate (PubChem CID 7958308) has the molecular formula C18H16F3NO4 and a molecular weight of 367.32 g/mol. Its IUPAC name is [2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 3-phenylpropanoate.

Molecular Properties

Compound Name[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 3-phenylpropanoate
PubChem CID7958308
Molecular FormulaC18H16F3NO4
Molecular Weight367.32 g/mol
Exact Mass367.10
IUPAC Name[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 3-phenylpropanoate
SMILESO=C(COC(=O)CCc1ccccc1)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C18H16F3NO4/c19-18(20,21)26-15-9-7-14(8-10-15)22-16(23)12-25-17(24)11-6-13-4-2-1-3-5-13/h1-5,7-10H,6,11-12H2,(H,22,23)
InChIKeyPXDAHYIBAGZALI-UHFFFAOYSA-N
XLogP3.70
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.32
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[[2-(3-phenylpropanoyloxy)acetyl]amino]benzoate
CID 7654687
benzyl 3-[4-(trifluoromethoxy)phenyl]propanoate
CID 145346373
[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 2-(2-chlorophenyl)acetate
CID 8633119
[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 4-(1H-indol-3-yl)butanoate
CID 3422352
[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 4-(1,3-benzothiazol-2-yl)butanoate
CID 4643082
2-[4-(3-oxobutyl)phenoxy]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 7643070
[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 2-(4-ethylphenoxy)acetate
CID 7844920
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 3-phenylpropanoate
CID 7043065
[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl] 3-phenylpropanoate
CID 26747020
benzyl N-[4-(trifluoromethoxy)phenyl]carbamate
CID 134102882
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl] 3-phenylpropanoate
CID 9416104
[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 2-(2-propan-2-ylphenoxy)acetate
CID 7903840

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 3-phenylpropanoate?
The IUPAC name of [2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 3-phenylpropanoate (CID 7958308) is [2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 3-phenylpropanoate.
What is the SMILES notation for [2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 3-phenylpropanoate?
The canonical SMILES for [2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 3-phenylpropanoate is O=C(COC(=O)CCc1ccccc1)Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of [2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 3-phenylpropanoate?
The InChIKey is PXDAHYIBAGZALI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3NO4/c19-18(20,21)26-15-9-7-14(8-10-15)22-16(23)12-25-17(24)11-6-13-4-2-1-3-5-13/h1-5,7-10H,6,11-12H2,(H,22,23).
What are the key properties of [2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 3-phenylpropanoate?
[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 3-phenylpropanoate has a molecular weight of 367.32 g/mol, XLogP of 3.70, 7 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] 3-phenylpropanoate is sourced from PubChem (CID 7958308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).