2-(2,6-dimethoxy-4-methylphenoxy)-N-(2,3,4-trifluorophenyl)acetamide

C17H16F3NO4 — CID 2109337

IUPAC2-(2,6-dimethoxy-4-methylphenoxy)-N-(2,3,4-trifluorophenyl)acetamide
SMILESCOc1cc(C)cc(OC)c1OCC(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C17H16F3NO4/c1-9-6-12(23-2)17(13(7-9)24-3)25-8-14(22)21-11-5-4-10(18)15(19)16(11)20/h4-7H,8H2,1-3H3,(H,21,22)
InChIKeyJTBGLHYSHLTFLV-UHFFFAOYSA-N
MW355.31 g/mol
LogP3.45
Rot. Bonds6

About 2-(2,6-dimethoxy-4-methylphenoxy)-N-(2,3,4-trifluorophenyl)acetamide

2-(2,6-dimethoxy-4-methylphenoxy)-N-(2,3,4-trifluorophenyl)acetamide (PubChem CID 2109337) has the molecular formula C17H16F3NO4 and a molecular weight of 355.31 g/mol. Its IUPAC name is 2-(2,6-dimethoxy-4-methylphenoxy)-N-(2,3,4-trifluorophenyl)acetamide.

Molecular Properties

Compound Name2-(2,6-dimethoxy-4-methylphenoxy)-N-(2,3,4-trifluorophenyl)acetamide
PubChem CID2109337
Molecular FormulaC17H16F3NO4
Molecular Weight355.31 g/mol
Exact Mass355.10
IUPAC Name2-(2,6-dimethoxy-4-methylphenoxy)-N-(2,3,4-trifluorophenyl)acetamide
SMILESCOc1cc(C)cc(OC)c1OCC(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C17H16F3NO4/c1-9-6-12(23-2)17(13(7-9)24-3)25-8-14(22)21-11-5-4-10(18)15(19)16(11)20/h4-7H,8H2,1-3H3,(H,21,22)
InChIKeyJTBGLHYSHLTFLV-UHFFFAOYSA-N
XLogP3.45
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.31
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 3,4-dimethoxybenzoate
CID 2349931
3,4,5-trimethoxy-N-[2-oxo-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]ethyl]benzamide
CID 26676496
2-(5-chloro-2-methoxyanilino)-N-(2,3,4-trifluorophenyl)acetamide
CID 109008882
2-(2,6-dimethoxy-4-methylphenoxy)-N-(4-ethylphenyl)acetamide
CID 7686490
[2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 3-fluoro-4-methoxybenzoate
CID 7991426
2-(4-methyl-2-nitrophenoxy)-N-(2,3,4-trifluorophenyl)acetamide
CID 8538741
4-[2-(2-fluoroanilino)-2-oxoethoxy]-3,5-dimethoxybenzoic acid
CID 99989728
[2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 2-(4-chloro-2,6-dimethylphenoxy)acetate
CID 8631644
2-[[2-(2,4-dimethylphenoxy)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 7809229
N-(3-chloro-4-methoxyphenyl)-2-(2,6-dimethoxy-4-methylphenoxy)acetamide
CID 7695455
N-[(4-chlorophenyl)methyl]-2-(2,6-dimethoxy-4-methylphenoxy)acetamide
CID 7686438
2-(2,6-dibromo-4-formylphenoxy)-N-(2,3,4-trifluorophenyl)acetamide
CID 28913545

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethoxy-4-methylphenoxy)-N-(2,3,4-trifluorophenyl)acetamide?
The IUPAC name of 2-(2,6-dimethoxy-4-methylphenoxy)-N-(2,3,4-trifluorophenyl)acetamide (CID 2109337) is 2-(2,6-dimethoxy-4-methylphenoxy)-N-(2,3,4-trifluorophenyl)acetamide.
What is the SMILES notation for 2-(2,6-dimethoxy-4-methylphenoxy)-N-(2,3,4-trifluorophenyl)acetamide?
The canonical SMILES for 2-(2,6-dimethoxy-4-methylphenoxy)-N-(2,3,4-trifluorophenyl)acetamide is COc1cc(C)cc(OC)c1OCC(=O)Nc1ccc(F)c(F)c1F.
What is the InChIKey of 2-(2,6-dimethoxy-4-methylphenoxy)-N-(2,3,4-trifluorophenyl)acetamide?
The InChIKey is JTBGLHYSHLTFLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3NO4/c1-9-6-12(23-2)17(13(7-9)24-3)25-8-14(22)21-11-5-4-10(18)15(19)16(11)20/h4-7H,8H2,1-3H3,(H,21,22).
What are the key properties of 2-(2,6-dimethoxy-4-methylphenoxy)-N-(2,3,4-trifluorophenyl)acetamide?
2-(2,6-dimethoxy-4-methylphenoxy)-N-(2,3,4-trifluorophenyl)acetamide has a molecular weight of 355.31 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethoxy-4-methylphenoxy)-N-(2,3,4-trifluorophenyl)acetamide is sourced from PubChem (CID 2109337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).