2-[2-[[2-(difluoromethyl)-4-ethylphenoxy]methyl]-3-(trifluoromethyl)phenyl]-N-methylacetamide

C20H20F5NO2 — CID 126588257

IUPAC2-[2-[[2-(difluoromethyl)-4-ethylphenoxy]methyl]-3-(trifluoromethyl)phenyl]-N-methylacetamide
SMILESCCc1ccc(OCc2c(CC(=O)NC)cccc2C(F)(F)F)c(C(F)F)c1
InChIInChI=1S/C20H20F5NO2/c1-3-12-7-8-17(14(9-12)19(21)22)28-11-15-13(10-18(27)26-2)5-4-6-16(15)20(23,24)25/h4-9,19H,3,10-11H2,1-2H3,(H,26,27)
InChIKeyWAZIPRGIZIKHLP-UHFFFAOYSA-N
MW401.38 g/mol
LogP5.07
Rot. Bonds7

About 2-[2-[[2-(difluoromethyl)-4-ethylphenoxy]methyl]-3-(trifluoromethyl)phenyl]-N-methylacetamide

2-[2-[[2-(difluoromethyl)-4-ethylphenoxy]methyl]-3-(trifluoromethyl)phenyl]-N-methylacetamide (PubChem CID 126588257) has the molecular formula C20H20F5NO2 and a molecular weight of 401.38 g/mol. Its IUPAC name is 2-[2-[[2-(difluoromethyl)-4-ethylphenoxy]methyl]-3-(trifluoromethyl)phenyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[2-[[2-(difluoromethyl)-4-ethylphenoxy]methyl]-3-(trifluoromethyl)phenyl]-N-methylacetamide
PubChem CID126588257
Molecular FormulaC20H20F5NO2
Molecular Weight401.38 g/mol
Exact Mass401.14
IUPAC Name2-[2-[[2-(difluoromethyl)-4-ethylphenoxy]methyl]-3-(trifluoromethyl)phenyl]-N-methylacetamide
SMILESCCc1ccc(OCc2c(CC(=O)NC)cccc2C(F)(F)F)c(C(F)F)c1
InChIInChI=1S/C20H20F5NO2/c1-3-12-7-8-17(14(9-12)19(21)22)28-11-15-13(10-18(27)26-2)5-4-6-16(15)20(23,24)25/h4-9,19H,3,10-11H2,1-2H3,(H,26,27)
InChIKeyWAZIPRGIZIKHLP-UHFFFAOYSA-N
XLogP5.07
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.38
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-[(4-ethyl-2-fluorophenoxy)methyl]-3-(trifluoromethyl)phenyl]-N-methylacetamide
CID 126589009
2-[3-ethoxy-2-[[4-ethyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]-N-methylacetamide
CID 126588276
2-[2-[[4-ethyl-2-(trifluoromethyl)phenoxy]methyl]-3-iodophenyl]-N-methylacetamide
CID 126588283
2-[3-cyclopropyl-2-[[4-ethyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]-N-methylacetamide
CID 126588286
2-[3-ethoxy-2-[(4-ethyl-2-fluorophenoxy)methyl]phenyl]-N-methylacetamide
CID 126589006
methyl N-[2-[[2-(difluoromethyl)-4-ethylphenoxy]methyl]-3-ethylphenyl]carbamate
CID 126588372
2-[2-[(4-ethyl-2-methylphenoxy)methyl]-3-fluorophenyl]-N-methylacetamide
CID 126588249
N-[3-(difluoromethyl)-2-[[2-(difluoromethyl)-4-ethylphenoxy]methyl]phenyl]propanamide
CID 126588884
S-[2-[(4-ethyl-2-methylphenoxy)methyl]-3-(trifluoromethyl)phenyl] N-methylcarbamothioate
CID 122649109
[2-[(4-ethyl-2-methylphenoxy)methyl]-3-(trifluoromethyl)phenyl] propanoate
CID 122649443
1-[3-(difluoromethyl)-2-[(4-ethyl-2-methylphenoxy)methyl]phenyl]-3-methylurea
CID 126589307
1-ethyl-1-[2-[(4-ethyl-2-methylphenoxy)methyl]-3-(trifluoromethyl)phenyl]-3-methylurea
CID 126588953

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[2-(difluoromethyl)-4-ethylphenoxy]methyl]-3-(trifluoromethyl)phenyl]-N-methylacetamide?
The IUPAC name of 2-[2-[[2-(difluoromethyl)-4-ethylphenoxy]methyl]-3-(trifluoromethyl)phenyl]-N-methylacetamide (CID 126588257) is 2-[2-[[2-(difluoromethyl)-4-ethylphenoxy]methyl]-3-(trifluoromethyl)phenyl]-N-methylacetamide.
What is the SMILES notation for 2-[2-[[2-(difluoromethyl)-4-ethylphenoxy]methyl]-3-(trifluoromethyl)phenyl]-N-methylacetamide?
The canonical SMILES for 2-[2-[[2-(difluoromethyl)-4-ethylphenoxy]methyl]-3-(trifluoromethyl)phenyl]-N-methylacetamide is CCc1ccc(OCc2c(CC(=O)NC)cccc2C(F)(F)F)c(C(F)F)c1.
What is the InChIKey of 2-[2-[[2-(difluoromethyl)-4-ethylphenoxy]methyl]-3-(trifluoromethyl)phenyl]-N-methylacetamide?
The InChIKey is WAZIPRGIZIKHLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F5NO2/c1-3-12-7-8-17(14(9-12)19(21)22)28-11-15-13(10-18(27)26-2)5-4-6-16(15)20(23,24)25/h4-9,19H,3,10-11H2,1-2H3,(H,26,27).
What are the key properties of 2-[2-[[2-(difluoromethyl)-4-ethylphenoxy]methyl]-3-(trifluoromethyl)phenyl]-N-methylacetamide?
2-[2-[[2-(difluoromethyl)-4-ethylphenoxy]methyl]-3-(trifluoromethyl)phenyl]-N-methylacetamide has a molecular weight of 401.38 g/mol, XLogP of 5.07, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[2-(difluoromethyl)-4-ethylphenoxy]methyl]-3-(trifluoromethyl)phenyl]-N-methylacetamide is sourced from PubChem (CID 126588257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).