ethyl 2-anilino-2-[4-(trifluoromethyl)phenyl]propanoate

C18H18F3NO2 — CID 59200602

IUPACethyl 2-anilino-2-[4-(trifluoromethyl)phenyl]propanoate
SMILESCCOC(=O)C(C)(Nc1ccccc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H18F3NO2/c1-3-24-16(23)17(2,22-15-7-5-4-6-8-15)13-9-11-14(12-10-13)18(19,20)21/h4-12,22H,3H2,1-2H3
InChIKeyIGGSLXKTKGOOGI-UHFFFAOYSA-N
MW337.34 g/mol
LogP4.60
Rot. Bonds5

About ethyl 2-anilino-2-[4-(trifluoromethyl)phenyl]propanoate

ethyl 2-anilino-2-[4-(trifluoromethyl)phenyl]propanoate (PubChem CID 59200602) has the molecular formula C18H18F3NO2 and a molecular weight of 337.34 g/mol. Its IUPAC name is ethyl 2-anilino-2-[4-(trifluoromethyl)phenyl]propanoate.

Molecular Properties

Compound Nameethyl 2-anilino-2-[4-(trifluoromethyl)phenyl]propanoate
PubChem CID59200602
Molecular FormulaC18H18F3NO2
Molecular Weight337.34 g/mol
Exact Mass337.13
IUPAC Nameethyl 2-anilino-2-[4-(trifluoromethyl)phenyl]propanoate
SMILESCCOC(=O)C(C)(Nc1ccccc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H18F3NO2/c1-3-24-16(23)17(2,22-15-7-5-4-6-8-15)13-9-11-14(12-10-13)18(19,20)21/h4-12,22H,3H2,1-2H3
InChIKeyIGGSLXKTKGOOGI-UHFFFAOYSA-N
XLogP4.60
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.34
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-anilino-2-(3-chlorophenyl)propanoate
CID 60992307
ethyl 2-(propylamino)-2-[4-(trifluoromethyl)phenyl]propanoate
CID 60796515
ethyl 2-anilino-2-(5-bromofuran-2-yl)propanoate
CID 104653374
methyl 2-anilino-2-(4-hydroxyphenyl)propanoate
CID 60991506
2,2,2-trifluoroethyl 2-anilino-2-methyl-3-oxobutanoate
CID 162404580
ethyl 2-anilino-2-methylheptanoate
CID 80558019
ethyl (2S)-2-anilino-2-benzamido-3,3,3-trifluoropropanoate
CID 7195837
methyl 2-(4-methylanilino)-2-phenylpropanoate
CID 60990669
ethyl (2R)-2-acetamido-2-anilino-3,3,3-trifluoropropanoate
CID 7037296
2-anilino-2-(4-methylphenyl)propanoic acid
CID 60992300
ethyl 2-(ethylamino)-2-[2-(trifluoromethyl)phenyl]propanoate
CID 60786030
ethyl 2,2-dimethyl-3-oxo-3-[2-[2-[4-(trifluoromethyl)anilino]benzoyl]hydrazinyl]propanoate
CID 155211832

Frequently Asked Questions

What is the IUPAC name of ethyl 2-anilino-2-[4-(trifluoromethyl)phenyl]propanoate?
The IUPAC name of ethyl 2-anilino-2-[4-(trifluoromethyl)phenyl]propanoate (CID 59200602) is ethyl 2-anilino-2-[4-(trifluoromethyl)phenyl]propanoate.
What is the SMILES notation for ethyl 2-anilino-2-[4-(trifluoromethyl)phenyl]propanoate?
The canonical SMILES for ethyl 2-anilino-2-[4-(trifluoromethyl)phenyl]propanoate is CCOC(=O)C(C)(Nc1ccccc1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of ethyl 2-anilino-2-[4-(trifluoromethyl)phenyl]propanoate?
The InChIKey is IGGSLXKTKGOOGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3NO2/c1-3-24-16(23)17(2,22-15-7-5-4-6-8-15)13-9-11-14(12-10-13)18(19,20)21/h4-12,22H,3H2,1-2H3.
What are the key properties of ethyl 2-anilino-2-[4-(trifluoromethyl)phenyl]propanoate?
ethyl 2-anilino-2-[4-(trifluoromethyl)phenyl]propanoate has a molecular weight of 337.34 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-anilino-2-[4-(trifluoromethyl)phenyl]propanoate is sourced from PubChem (CID 59200602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).