2-[[2-[3,5-bis(trifluoromethyl)phenoxy]acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide

C18H11F9N2O3 — CID 4839539

IUPAC2-[[2-[3,5-bis(trifluoromethyl)phenoxy]acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
SMILESO=C(COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)NCC(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C18H11F9N2O3/c19-11-1-2-12(16(21)15(11)20)29-13(30)6-28-14(31)7-32-10-4-8(17(22,23)24)3-9(5-10)18(25,26)27/h1-5H,6-7H2,(H,28,31)(H,29,30)
InChIKeyRQELPEFEWZZQJN-UHFFFAOYSA-N
MW474.28 g/mol
LogP4.28
Rot. Bonds6

About 2-[[2-[3,5-bis(trifluoromethyl)phenoxy]acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide

2-[[2-[3,5-bis(trifluoromethyl)phenoxy]acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide (PubChem CID 4839539) has the molecular formula C18H11F9N2O3 and a molecular weight of 474.28 g/mol. Its IUPAC name is 2-[[2-[3,5-bis(trifluoromethyl)phenoxy]acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide.

Molecular Properties

Compound Name2-[[2-[3,5-bis(trifluoromethyl)phenoxy]acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
PubChem CID4839539
Molecular FormulaC18H11F9N2O3
Molecular Weight474.28 g/mol
Exact Mass474.06
IUPAC Name2-[[2-[3,5-bis(trifluoromethyl)phenoxy]acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
SMILESO=C(COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)NCC(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C18H11F9N2O3/c19-11-1-2-12(16(21)15(11)20)29-13(30)6-28-14(31)7-32-10-4-8(17(22,23)24)3-9(5-10)18(25,26)27/h1-5H,6-7H2,(H,28,31)(H,29,30)
InChIKeyRQELPEFEWZZQJN-UHFFFAOYSA-N
XLogP4.28
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.28
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-[[2-[3,5-bis(trifluoromethyl)phenoxy]acetyl]amino]-N-(4-fluorophenyl)acetamide
CID 16526088
2-[[2-(3-chlorophenoxy)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 7601440
2-[[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 7535879
N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-2-[4-(trifluoromethyl)anilino]acetamide
CID 46633419
2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 2527865
2-[[2-(2,4-dimethylphenoxy)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 7809229
2-[2-[4-(trifluoromethyl)phenyl]ethylcarbamoylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 46494014
2-[[3-(trifluoromethyl)phenyl]methylcarbamoylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 41474710
[2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzoate
CID 2407813
trans-[2-oxo-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]ethyl] (1S,2S)-2-methylcyclopropane-1-carboxylate
CID 11915717
2-[[2-(4-methyl-2-nitrophenoxy)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 8562673
2-(4-bromophenoxy)-N-(2,3,4-trifluorophenyl)acetamide
CID 2631889

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[3,5-bis(trifluoromethyl)phenoxy]acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide?
The IUPAC name of 2-[[2-[3,5-bis(trifluoromethyl)phenoxy]acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide (CID 4839539) is 2-[[2-[3,5-bis(trifluoromethyl)phenoxy]acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide.
What is the SMILES notation for 2-[[2-[3,5-bis(trifluoromethyl)phenoxy]acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide?
The canonical SMILES for 2-[[2-[3,5-bis(trifluoromethyl)phenoxy]acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide is O=C(COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)NCC(=O)Nc1ccc(F)c(F)c1F.
What is the InChIKey of 2-[[2-[3,5-bis(trifluoromethyl)phenoxy]acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide?
The InChIKey is RQELPEFEWZZQJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F9N2O3/c19-11-1-2-12(16(21)15(11)20)29-13(30)6-28-14(31)7-32-10-4-8(17(22,23)24)3-9(5-10)18(25,26)27/h1-5H,6-7H2,(H,28,31)(H,29,30).
What are the key properties of 2-[[2-[3,5-bis(trifluoromethyl)phenoxy]acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide?
2-[[2-[3,5-bis(trifluoromethyl)phenoxy]acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide has a molecular weight of 474.28 g/mol, XLogP of 4.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[3,5-bis(trifluoromethyl)phenoxy]acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide is sourced from PubChem (CID 4839539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).