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

C17H13F6NO2 — CID 55772582

IUPAC2-[4-(trifluoromethyl)phenoxy]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
SMILESO=C(COc1ccc(C(F)(F)F)cc1)NCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H13F6NO2/c18-16(19,20)12-3-1-11(2-4-12)9-24-15(25)10-26-14-7-5-13(6-8-14)17(21,22)23/h1-8H,9-10H2,(H,24,25)
InChIKeyONVJUFLZIWERLG-UHFFFAOYSA-N
MW377.28 g/mol
LogP4.42
Rot. Bonds5

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

2-[4-(trifluoromethyl)phenoxy]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide (PubChem CID 55772582) has the molecular formula C17H13F6NO2 and a molecular weight of 377.28 g/mol. Its IUPAC name is 2-[4-(trifluoromethyl)phenoxy]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-[4-(trifluoromethyl)phenoxy]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
PubChem CID55772582
Molecular FormulaC17H13F6NO2
Molecular Weight377.28 g/mol
Exact Mass377.09
IUPAC Name2-[4-(trifluoromethyl)phenoxy]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
SMILESO=C(COc1ccc(C(F)(F)F)cc1)NCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H13F6NO2/c18-16(19,20)12-3-1-11(2-4-12)9-24-15(25)10-26-14-7-5-13(6-8-14)17(21,22)23/h1-8H,9-10H2,(H,24,25)
InChIKeyONVJUFLZIWERLG-UHFFFAOYSA-N
XLogP4.42
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.28
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-fluorophenoxy)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 27052645
2-(4-propanoylphenoxy)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 27052429
3-[2-oxo-2-[[4-(trifluoromethyl)phenyl]methylamino]ethoxy]benzamide
CID 60530584
4-(2-amino-2-oxoethoxy)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 17452852
2-bromo-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 16757561
2-[[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]acetamide
CID 8510054
N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-2-[[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]acetamide
CID 54596690
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 51117641
3-amino-3-sulfanylidene-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 62880466
2-(4-tert-butylphenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 28633311
4-[[[2-(4-tert-butylphenoxy)acetyl]amino]methyl]-N-methylbenzamide
CID 55575979
[2-oxo-2-[[4-[4-(trifluoromethyl)phenyl]phenyl]methylamino]ethyl] 2,2,2-trifluoroacetate
CID 87548997

Frequently Asked Questions

What is the IUPAC name of 2-[4-(trifluoromethyl)phenoxy]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-[4-(trifluoromethyl)phenoxy]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide (CID 55772582) is 2-[4-(trifluoromethyl)phenoxy]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-[4-(trifluoromethyl)phenoxy]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-[4-(trifluoromethyl)phenoxy]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide is O=C(COc1ccc(C(F)(F)F)cc1)NCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-[4-(trifluoromethyl)phenoxy]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide?
The InChIKey is ONVJUFLZIWERLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F6NO2/c18-16(19,20)12-3-1-11(2-4-12)9-24-15(25)10-26-14-7-5-13(6-8-14)17(21,22)23/h1-8H,9-10H2,(H,24,25).
What are the key properties of 2-[4-(trifluoromethyl)phenoxy]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide?
2-[4-(trifluoromethyl)phenoxy]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide has a molecular weight of 377.28 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(trifluoromethyl)phenoxy]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 55772582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).