2-phenoxy-N-[4-[3-(trifluoromethyl)anilino]phenyl]acetamide

C21H17F3N2O2 — CID 112988067

IUPAC2-phenoxy-N-[4-[3-(trifluoromethyl)anilino]phenyl]acetamide
SMILESO=C(COc1ccccc1)Nc1ccc(Nc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C21H17F3N2O2/c22-21(23,24)15-5-4-6-18(13-15)25-16-9-11-17(12-10-16)26-20(27)14-28-19-7-2-1-3-8-19/h1-13,25H,14H2,(H,26,27)
InChIKeyVTIGXTWRPDVZLX-UHFFFAOYSA-N
MW386.37 g/mol
LogP5.47
Rot. Bonds6

About 2-phenoxy-N-[4-[3-(trifluoromethyl)anilino]phenyl]acetamide

2-phenoxy-N-[4-[3-(trifluoromethyl)anilino]phenyl]acetamide (PubChem CID 112988067) has the molecular formula C21H17F3N2O2 and a molecular weight of 386.37 g/mol. Its IUPAC name is 2-phenoxy-N-[4-[3-(trifluoromethyl)anilino]phenyl]acetamide.

Molecular Properties

Compound Name2-phenoxy-N-[4-[3-(trifluoromethyl)anilino]phenyl]acetamide
PubChem CID112988067
Molecular FormulaC21H17F3N2O2
Molecular Weight386.37 g/mol
Exact Mass386.12
IUPAC Name2-phenoxy-N-[4-[3-(trifluoromethyl)anilino]phenyl]acetamide
SMILESO=C(COc1ccccc1)Nc1ccc(Nc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C21H17F3N2O2/c22-21(23,24)15-5-4-6-18(13-15)25-16-9-11-17(12-10-16)26-20(27)14-28-19-7-2-1-3-8-19/h1-13,25H,14H2,(H,26,27)
InChIKeyVTIGXTWRPDVZLX-UHFFFAOYSA-N
XLogP5.47
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.37
LogP ≤ 55.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(trifluoromethyl)phenoxy]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 100757803
2-(4-bromophenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1177163
N-[3-(phenylcarbamoylamino)phenyl]-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 55524065
N-(4-anilinophenyl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 161345978
4-[[2-(4-bromophenoxy)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 28639192
2-(3-propoxyphenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 4733098
N-[4-[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]phenyl]cyclopropanecarboxamide
CID 34431383
2-methyl-N-[3-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]phenyl]propanamide
CID 18870141
N-methyl-2-[4-[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]phenyl]acetamide
CID 35364913
N-(4-anilinophenyl)-2-(4-phenylphenoxy)acetamide
CID 4511463
3-[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]benzamide
CID 18084407
N-(3-ethylphenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 34280640

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-N-[4-[3-(trifluoromethyl)anilino]phenyl]acetamide?
The IUPAC name of 2-phenoxy-N-[4-[3-(trifluoromethyl)anilino]phenyl]acetamide (CID 112988067) is 2-phenoxy-N-[4-[3-(trifluoromethyl)anilino]phenyl]acetamide.
What is the SMILES notation for 2-phenoxy-N-[4-[3-(trifluoromethyl)anilino]phenyl]acetamide?
The canonical SMILES for 2-phenoxy-N-[4-[3-(trifluoromethyl)anilino]phenyl]acetamide is O=C(COc1ccccc1)Nc1ccc(Nc2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of 2-phenoxy-N-[4-[3-(trifluoromethyl)anilino]phenyl]acetamide?
The InChIKey is VTIGXTWRPDVZLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N2O2/c22-21(23,24)15-5-4-6-18(13-15)25-16-9-11-17(12-10-16)26-20(27)14-28-19-7-2-1-3-8-19/h1-13,25H,14H2,(H,26,27).
What are the key properties of 2-phenoxy-N-[4-[3-(trifluoromethyl)anilino]phenyl]acetamide?
2-phenoxy-N-[4-[3-(trifluoromethyl)anilino]phenyl]acetamide has a molecular weight of 386.37 g/mol, XLogP of 5.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-N-[4-[3-(trifluoromethyl)anilino]phenyl]acetamide is sourced from PubChem (CID 112988067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).