[2-amino-2-oxo-1-(4-phenylphenyl)-1-[3-(trifluoromethyl)phenyl]ethyl] acetate

C23H18F3NO3 — CID 70536596

IUPAC[2-amino-2-oxo-1-(4-phenylphenyl)-1-[3-(trifluoromethyl)phenyl]ethyl] acetate
SMILESCC(=O)OC(C(N)=O)(c1ccc(-c2ccccc2)cc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C23H18F3NO3/c1-15(28)30-22(21(27)29,19-8-5-9-20(14-19)23(24,25)26)18-12-10-17(11-13-18)16-6-3-2-4-7-16/h2-14H,1H3,(H2,27,29)
InChIKeyPUBJOTFBBRELIY-UHFFFAOYSA-N
MW413.40 g/mol
LogP4.66
Rot. Bonds5

About [2-amino-2-oxo-1-(4-phenylphenyl)-1-[3-(trifluoromethyl)phenyl]ethyl] acetate

[2-amino-2-oxo-1-(4-phenylphenyl)-1-[3-(trifluoromethyl)phenyl]ethyl] acetate (PubChem CID 70536596) has the molecular formula C23H18F3NO3 and a molecular weight of 413.40 g/mol. Its IUPAC name is [2-amino-2-oxo-1-(4-phenylphenyl)-1-[3-(trifluoromethyl)phenyl]ethyl] acetate.

Molecular Properties

Compound Name[2-amino-2-oxo-1-(4-phenylphenyl)-1-[3-(trifluoromethyl)phenyl]ethyl] acetate
PubChem CID70536596
Molecular FormulaC23H18F3NO3
Molecular Weight413.40 g/mol
Exact Mass413.12
IUPAC Name[2-amino-2-oxo-1-(4-phenylphenyl)-1-[3-(trifluoromethyl)phenyl]ethyl] acetate
SMILESCC(=O)OC(C(N)=O)(c1ccc(-c2ccccc2)cc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C23H18F3NO3/c1-15(28)30-22(21(27)29,19-8-5-9-20(14-19)23(24,25)26)18-12-10-17(11-13-18)16-6-3-2-4-7-16/h2-14H,1H3,(H2,27,29)
InChIKeyPUBJOTFBBRELIY-UHFFFAOYSA-N
XLogP4.66
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.40
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-amino-2-oxo-1-(4-phenylphenyl)-1-[3-(trifluoromethyl)phenyl]ethyl] acetate?
The IUPAC name of [2-amino-2-oxo-1-(4-phenylphenyl)-1-[3-(trifluoromethyl)phenyl]ethyl] acetate (CID 70536596) is [2-amino-2-oxo-1-(4-phenylphenyl)-1-[3-(trifluoromethyl)phenyl]ethyl] acetate.
What is the SMILES notation for [2-amino-2-oxo-1-(4-phenylphenyl)-1-[3-(trifluoromethyl)phenyl]ethyl] acetate?
The canonical SMILES for [2-amino-2-oxo-1-(4-phenylphenyl)-1-[3-(trifluoromethyl)phenyl]ethyl] acetate is CC(=O)OC(C(N)=O)(c1ccc(-c2ccccc2)cc1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of [2-amino-2-oxo-1-(4-phenylphenyl)-1-[3-(trifluoromethyl)phenyl]ethyl] acetate?
The InChIKey is PUBJOTFBBRELIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F3NO3/c1-15(28)30-22(21(27)29,19-8-5-9-20(14-19)23(24,25)26)18-12-10-17(11-13-18)16-6-3-2-4-7-16/h2-14H,1H3,(H2,27,29).
What are the key properties of [2-amino-2-oxo-1-(4-phenylphenyl)-1-[3-(trifluoromethyl)phenyl]ethyl] acetate?
[2-amino-2-oxo-1-(4-phenylphenyl)-1-[3-(trifluoromethyl)phenyl]ethyl] acetate has a molecular weight of 413.40 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-2-oxo-1-(4-phenylphenyl)-1-[3-(trifluoromethyl)phenyl]ethyl] acetate is sourced from PubChem (CID 70536596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).