2-(2,6-dimethylphenoxy)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]acetamide

C18H17F4NO2 — CID 55705908

IUPAC2-(2,6-dimethylphenoxy)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]acetamide
SMILESCc1cccc(C)c1OCC(=O)NCc1ccc(F)cc1C(F)(F)F
InChIInChI=1S/C18H17F4NO2/c1-11-4-3-5-12(2)17(11)25-10-16(24)23-9-13-6-7-14(19)8-15(13)18(20,21)22/h3-8H,9-10H2,1-2H3,(H,23,24)
InChIKeyVPLQMHPLUNNGHZ-UHFFFAOYSA-N
MW355.33 g/mol
LogP4.16
Rot. Bonds5

About 2-(2,6-dimethylphenoxy)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]acetamide

2-(2,6-dimethylphenoxy)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]acetamide (PubChem CID 55705908) has the molecular formula C18H17F4NO2 and a molecular weight of 355.33 g/mol. Its IUPAC name is 2-(2,6-dimethylphenoxy)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(2,6-dimethylphenoxy)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]acetamide
PubChem CID55705908
Molecular FormulaC18H17F4NO2
Molecular Weight355.33 g/mol
Exact Mass355.12
IUPAC Name2-(2,6-dimethylphenoxy)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]acetamide
SMILESCc1cccc(C)c1OCC(=O)NCc1ccc(F)cc1C(F)(F)F
InChIInChI=1S/C18H17F4NO2/c1-11-4-3-5-12(2)17(11)25-10-16(24)23-9-13-6-7-14(19)8-15(13)18(20,21)22/h3-8H,9-10H2,1-2H3,(H,23,24)
InChIKeyVPLQMHPLUNNGHZ-UHFFFAOYSA-N
XLogP4.16
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.33
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-3-(4-methylphenyl)propanamide
CID 46485625
2-[4-(1,3-dithian-2-yl)phenoxy]-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]acetamide
CID 55705683
N-(2,5-difluorophenyl)-2-(2,6-dimethylphenoxy)acetamide
CID 2711364
2-(2,6-dimethylphenoxy)-N-(4-fluorophenyl)acetamide
CID 776559
3-(4-chlorophenyl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]propanamide
CID 46485685
3-(2,5-dimethoxyphenyl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]propanamide
CID 55708503
2-(2-chloro-4-fluorophenoxy)-N'-[2-(2,6-dimethylphenoxy)acetyl]acetohydrazide
CID 9428415
(Z)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-methylpent-2-enamide
CID 60557602
2-(2,6-dimethylphenoxy)-N-[1,1,2,2-tetradeuterio-2-[[2-(2,6-dimethylphenoxy)acetyl]amino]ethyl]acetamide
CID 171381792
2-(2,6-dimethylphenoxy)-N-[(3-methylphenyl)methyl]acetamide
CID 38294910
2-[benzenesulfonyl(methyl)amino]-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]acetamide
CID 46474679
3-[4-(difluoromethoxy)phenyl]-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]propanamide
CID 78876423

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylphenoxy)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-(2,6-dimethylphenoxy)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]acetamide (CID 55705908) is 2-(2,6-dimethylphenoxy)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(2,6-dimethylphenoxy)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(2,6-dimethylphenoxy)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]acetamide is Cc1cccc(C)c1OCC(=O)NCc1ccc(F)cc1C(F)(F)F.
What is the InChIKey of 2-(2,6-dimethylphenoxy)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]acetamide?
The InChIKey is VPLQMHPLUNNGHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F4NO2/c1-11-4-3-5-12(2)17(11)25-10-16(24)23-9-13-6-7-14(19)8-15(13)18(20,21)22/h3-8H,9-10H2,1-2H3,(H,23,24).
What are the key properties of 2-(2,6-dimethylphenoxy)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]acetamide?
2-(2,6-dimethylphenoxy)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]acetamide has a molecular weight of 355.33 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylphenoxy)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 55705908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).