[2-(benzhydrylamino)-2-oxoethyl] 3-(trifluoromethyl)benzoate

C23H18F3NO3 — CID 4854042

IUPAC[2-(benzhydrylamino)-2-oxoethyl] 3-(trifluoromethyl)benzoate
SMILESO=C(COC(=O)c1cccc(C(F)(F)F)c1)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H18F3NO3/c24-23(25,26)19-13-7-12-18(14-19)22(29)30-15-20(28)27-21(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-14,21H,15H2,(H,27,28)
InChIKeyLSTOWJQUYSSVDC-UHFFFAOYSA-N
MW413.40 g/mol
LogP4.77
Rot. Bonds6

About [2-(benzhydrylamino)-2-oxoethyl] 3-(trifluoromethyl)benzoate

[2-(benzhydrylamino)-2-oxoethyl] 3-(trifluoromethyl)benzoate (PubChem CID 4854042) has the molecular formula C23H18F3NO3 and a molecular weight of 413.40 g/mol. Its IUPAC name is [2-(benzhydrylamino)-2-oxoethyl] 3-(trifluoromethyl)benzoate.

Molecular Properties

Compound Name[2-(benzhydrylamino)-2-oxoethyl] 3-(trifluoromethyl)benzoate
PubChem CID4854042
Molecular FormulaC23H18F3NO3
Molecular Weight413.40 g/mol
Exact Mass413.12
IUPAC Name[2-(benzhydrylamino)-2-oxoethyl] 3-(trifluoromethyl)benzoate
SMILESO=C(COC(=O)c1cccc(C(F)(F)F)c1)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H18F3NO3/c24-23(25,26)19-13-7-12-18(14-19)22(29)30-15-20(28)27-21(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-14,21H,15H2,(H,27,28)
InChIKeyLSTOWJQUYSSVDC-UHFFFAOYSA-N
XLogP4.77
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.40
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzhydryl-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 100758154
N-benzhydryl-3-(trifluoromethyl)benzamide
CID 3549490
[2-(benzhydrylamino)-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate
CID 23965276
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-(trifluoromethyl)benzoate
CID 2504258
[2-(tert-butylamino)-2-oxoethyl] 3-(trifluoromethyl)benzoate
CID 2504289
[2-oxo-2-[[(2S)-1-oxo-1-(propylamino)propan-2-yl]amino]ethyl] 3-(trifluoromethyl)benzoate
CID 9014607
[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 3-(trifluoromethyl)benzoate
CID 7860144
[2-(2,6-difluoroanilino)-2-oxoethyl] 3-(trifluoromethyl)benzoate
CID 2504414
[2-oxo-2-(2-propan-2-ylanilino)ethyl] 3-(trifluoromethyl)benzoate
CID 7506590
[2-oxo-2-[[phenyl(thiophen-2-yl)methyl]amino]ethyl] 2-[3-(trifluoromethyl)phenyl]acetate
CID 46828730
N-benzhydryl-2-(2,2,2-trifluoroethoxy)acetamide
CID 86915357
2-methylprop-2-enyl 3-(trifluoromethyl)benzoate
CID 78789073

Frequently Asked Questions

What is the IUPAC name of [2-(benzhydrylamino)-2-oxoethyl] 3-(trifluoromethyl)benzoate?
The IUPAC name of [2-(benzhydrylamino)-2-oxoethyl] 3-(trifluoromethyl)benzoate (CID 4854042) is [2-(benzhydrylamino)-2-oxoethyl] 3-(trifluoromethyl)benzoate.
What is the SMILES notation for [2-(benzhydrylamino)-2-oxoethyl] 3-(trifluoromethyl)benzoate?
The canonical SMILES for [2-(benzhydrylamino)-2-oxoethyl] 3-(trifluoromethyl)benzoate is O=C(COC(=O)c1cccc(C(F)(F)F)c1)NC(c1ccccc1)c1ccccc1.
What is the InChIKey of [2-(benzhydrylamino)-2-oxoethyl] 3-(trifluoromethyl)benzoate?
The InChIKey is LSTOWJQUYSSVDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F3NO3/c24-23(25,26)19-13-7-12-18(14-19)22(29)30-15-20(28)27-21(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-14,21H,15H2,(H,27,28).
What are the key properties of [2-(benzhydrylamino)-2-oxoethyl] 3-(trifluoromethyl)benzoate?
[2-(benzhydrylamino)-2-oxoethyl] 3-(trifluoromethyl)benzoate has a molecular weight of 413.40 g/mol, XLogP of 4.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(benzhydrylamino)-2-oxoethyl] 3-(trifluoromethyl)benzoate is sourced from PubChem (CID 4854042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).