N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2,2-diphenylacetamide

C23H20F3NO2 — CID 56765464

IUPACN-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2,2-diphenylacetamide
SMILESO=C(NCC(O)c1ccc(C(F)(F)F)cc1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H20F3NO2/c24-23(25,26)19-13-11-16(12-14-19)20(28)15-27-22(29)21(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-14,20-21,28H,15H2,(H,27,29)
InChIKeyCACSRFNUOTZUOW-UHFFFAOYSA-N
MW399.41 g/mol
LogP4.69
Rot. Bonds6

About N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2,2-diphenylacetamide

N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2,2-diphenylacetamide (PubChem CID 56765464) has the molecular formula C23H20F3NO2 and a molecular weight of 399.41 g/mol. Its IUPAC name is N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2,2-diphenylacetamide
PubChem CID56765464
Molecular FormulaC23H20F3NO2
Molecular Weight399.41 g/mol
Exact Mass399.14
IUPAC NameN-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2,2-diphenylacetamide
SMILESO=C(NCC(O)c1ccc(C(F)(F)F)cc1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H20F3NO2/c24-23(25,26)19-13-11-16(12-14-19)20(28)15-27-22(29)21(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-14,20-21,28H,15H2,(H,27,29)
InChIKeyCACSRFNUOTZUOW-UHFFFAOYSA-N
XLogP4.69
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.41
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2,2-diphenylacetamide?
The IUPAC name of N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2,2-diphenylacetamide (CID 56765464) is N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2,2-diphenylacetamide.
What is the SMILES notation for N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2,2-diphenylacetamide?
The canonical SMILES for N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2,2-diphenylacetamide is O=C(NCC(O)c1ccc(C(F)(F)F)cc1)C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2,2-diphenylacetamide?
The InChIKey is CACSRFNUOTZUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3NO2/c24-23(25,26)19-13-11-16(12-14-19)20(28)15-27-22(29)21(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-14,20-21,28H,15H2,(H,27,29).
What are the key properties of N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2,2-diphenylacetamide?
N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2,2-diphenylacetamide has a molecular weight of 399.41 g/mol, XLogP of 4.69, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2,2-diphenylacetamide is sourced from PubChem (CID 56765464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).