N-[4-(4-fluorophenoxy)-3-(trifluoromethyl)phenyl]-2,2-diphenylacetamide

C27H19F4NO2 — CID 3963385

IUPACN-[4-(4-fluorophenoxy)-3-(trifluoromethyl)phenyl]-2,2-diphenylacetamide
SMILESO=C(Nc1ccc(Oc2ccc(F)cc2)c(C(F)(F)F)c1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H19F4NO2/c28-20-11-14-22(15-12-20)34-24-16-13-21(17-23(24)27(29,30)31)32-26(33)25(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-17,25H,(H,32,33)
InChIKeyLTJDREIGCJDJMV-UHFFFAOYSA-N
MW465.45 g/mol
LogP7.41
Rot. Bonds6

About N-[4-(4-fluorophenoxy)-3-(trifluoromethyl)phenyl]-2,2-diphenylacetamide

N-[4-(4-fluorophenoxy)-3-(trifluoromethyl)phenyl]-2,2-diphenylacetamide (PubChem CID 3963385) has the molecular formula C27H19F4NO2 and a molecular weight of 465.45 g/mol. Its IUPAC name is N-[4-(4-fluorophenoxy)-3-(trifluoromethyl)phenyl]-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-[4-(4-fluorophenoxy)-3-(trifluoromethyl)phenyl]-2,2-diphenylacetamide
PubChem CID3963385
Molecular FormulaC27H19F4NO2
Molecular Weight465.45 g/mol
Exact Mass465.14
IUPAC NameN-[4-(4-fluorophenoxy)-3-(trifluoromethyl)phenyl]-2,2-diphenylacetamide
SMILESO=C(Nc1ccc(Oc2ccc(F)cc2)c(C(F)(F)F)c1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H19F4NO2/c28-20-11-14-22(15-12-20)34-24-16-13-21(17-23(24)27(29,30)31)32-26(33)25(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-17,25H,(H,32,33)
InChIKeyLTJDREIGCJDJMV-UHFFFAOYSA-N
XLogP7.41
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.45
LogP ≤ 57.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-2-(oxan-4-yl)-N-[4-[2-(trifluoromethyl)phenoxy]phenyl]acetamide;hydrochloride
CID 120790257
N-(3,4-difluorophenyl)-2,2-diphenylacetamide
CID 887699
2,2-diphenyl-N-(4-pyrimidin-2-yloxyphenyl)acetamide
CID 55834993
N-[4-(4-nitrophenoxy)-3-(trifluoromethyl)phenyl]carbamate
CID 69143330
(2S)-N-[4-bromo-3-(trifluoromethyl)phenyl]-3-(4-fluorophenoxy)-2-hydroxypropanamide
CID 142885767
N-(3-fluoro-4-methylphenyl)-2,2-diphenylacetamide
CID 676006
N-[[4-[2-(trifluoromethyl)phenoxy]phenyl]carbamoyl]benzamide
CID 70361958
(2S)-3-(4-fluorophenoxy)-2-hydroxy-N-[4-iodo-3-(trifluoromethyl)phenyl]propanamide
CID 142885780
[3-[(2,2-diphenylacetyl)amino]phenyl] acetate
CID 1252597
[(2S)-2-amino-2-methyl-3-oxo-3-[4-(4-phenylphenoxy)-3-(trifluoromethyl)anilino]propyl] dihydrogen phosphate
CID 58725033
N-[(4-fluorophenyl)carbamothioyl]-2,2-diphenylacetamide
CID 1048111
1-(4-fluorophenyl)-3-(2-phenoxyphenyl)urea
CID 971524

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluorophenoxy)-3-(trifluoromethyl)phenyl]-2,2-diphenylacetamide?
The IUPAC name of N-[4-(4-fluorophenoxy)-3-(trifluoromethyl)phenyl]-2,2-diphenylacetamide (CID 3963385) is N-[4-(4-fluorophenoxy)-3-(trifluoromethyl)phenyl]-2,2-diphenylacetamide.
What is the SMILES notation for N-[4-(4-fluorophenoxy)-3-(trifluoromethyl)phenyl]-2,2-diphenylacetamide?
The canonical SMILES for N-[4-(4-fluorophenoxy)-3-(trifluoromethyl)phenyl]-2,2-diphenylacetamide is O=C(Nc1ccc(Oc2ccc(F)cc2)c(C(F)(F)F)c1)C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[4-(4-fluorophenoxy)-3-(trifluoromethyl)phenyl]-2,2-diphenylacetamide?
The InChIKey is LTJDREIGCJDJMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19F4NO2/c28-20-11-14-22(15-12-20)34-24-16-13-21(17-23(24)27(29,30)31)32-26(33)25(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-17,25H,(H,32,33).
What are the key properties of N-[4-(4-fluorophenoxy)-3-(trifluoromethyl)phenyl]-2,2-diphenylacetamide?
N-[4-(4-fluorophenoxy)-3-(trifluoromethyl)phenyl]-2,2-diphenylacetamide has a molecular weight of 465.45 g/mol, XLogP of 7.41, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-fluorophenoxy)-3-(trifluoromethyl)phenyl]-2,2-diphenylacetamide is sourced from PubChem (CID 3963385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).