2-[3,5-bis(trifluoromethyl)phenoxy]-N-quinoxalin-6-ylacetamide

C18H11F6N3O2 — CID 112845789

IUPAC2-[3,5-bis(trifluoromethyl)phenoxy]-N-quinoxalin-6-ylacetamide
SMILESO=C(COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Nc1ccc2nccnc2c1
InChIInChI=1S/C18H11F6N3O2/c19-17(20,21)10-5-11(18(22,23)24)7-13(6-10)29-9-16(28)27-12-1-2-14-15(8-12)26-4-3-25-14/h1-8H,9H2,(H,27,28)
InChIKeyZHGVIURTVVQPKV-UHFFFAOYSA-N
MW415.29 g/mol
LogP4.68
Rot. Bonds4

About 2-[3,5-bis(trifluoromethyl)phenoxy]-N-quinoxalin-6-ylacetamide

2-[3,5-bis(trifluoromethyl)phenoxy]-N-quinoxalin-6-ylacetamide (PubChem CID 112845789) has the molecular formula C18H11F6N3O2 and a molecular weight of 415.29 g/mol. Its IUPAC name is 2-[3,5-bis(trifluoromethyl)phenoxy]-N-quinoxalin-6-ylacetamide.

Molecular Properties

Compound Name2-[3,5-bis(trifluoromethyl)phenoxy]-N-quinoxalin-6-ylacetamide
PubChem CID112845789
Molecular FormulaC18H11F6N3O2
Molecular Weight415.29 g/mol
Exact Mass415.08
IUPAC Name2-[3,5-bis(trifluoromethyl)phenoxy]-N-quinoxalin-6-ylacetamide
SMILESO=C(COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Nc1ccc2nccnc2c1
InChIInChI=1S/C18H11F6N3O2/c19-17(20,21)10-5-11(18(22,23)24)7-13(6-10)29-9-16(28)27-12-1-2-14-15(8-12)26-4-3-25-14/h1-8H,9H2,(H,27,28)
InChIKeyZHGVIURTVVQPKV-UHFFFAOYSA-N
XLogP4.68
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.29
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3,5-bis(trifluoromethyl)phenoxy]-N-(4-sulfamoylphenyl)acetamide
CID 2080031
4-[[2-[3,5-bis(trifluoromethyl)phenoxy]acetyl]amino]-N-ethylbenzamide
CID 112836068
2-[[2-[3,5-bis(trifluoromethyl)phenoxy]acetyl]amino]-N-(4-fluorophenyl)acetamide
CID 16526088
2-[3,5-bis(trifluoromethyl)phenoxy]-N-[4-(2-oxoimidazolidin-1-yl)phenyl]acetamide
CID 78831595
2-[3-(trifluoromethyl)phenoxy]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 100757803
N-(4-cyanophenyl)-2-quinoxalin-6-yloxyacetamide
CID 3903681
3,3-dimethyl-N-quinoxalin-6-ylbutanamide
CID 47254889
2-[3,5-bis(trifluoromethyl)phenoxy]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2544509
3-[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]benzamide
CID 18084407
2-[3,5-bis(trifluoromethyl)phenoxy]-N-(2-ethoxy-3-pyridinyl)acetamide
CID 112830943
2-[3,5-bis(trifluoromethyl)phenoxy]-N-[3-(5-methyltetrazol-1-yl)phenyl]acetamide
CID 78864201
2-(4-acetylphenoxy)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 2621495

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(trifluoromethyl)phenoxy]-N-quinoxalin-6-ylacetamide?
The IUPAC name of 2-[3,5-bis(trifluoromethyl)phenoxy]-N-quinoxalin-6-ylacetamide (CID 112845789) is 2-[3,5-bis(trifluoromethyl)phenoxy]-N-quinoxalin-6-ylacetamide.
What is the SMILES notation for 2-[3,5-bis(trifluoromethyl)phenoxy]-N-quinoxalin-6-ylacetamide?
The canonical SMILES for 2-[3,5-bis(trifluoromethyl)phenoxy]-N-quinoxalin-6-ylacetamide is O=C(COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Nc1ccc2nccnc2c1.
What is the InChIKey of 2-[3,5-bis(trifluoromethyl)phenoxy]-N-quinoxalin-6-ylacetamide?
The InChIKey is ZHGVIURTVVQPKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F6N3O2/c19-17(20,21)10-5-11(18(22,23)24)7-13(6-10)29-9-16(28)27-12-1-2-14-15(8-12)26-4-3-25-14/h1-8H,9H2,(H,27,28).
What are the key properties of 2-[3,5-bis(trifluoromethyl)phenoxy]-N-quinoxalin-6-ylacetamide?
2-[3,5-bis(trifluoromethyl)phenoxy]-N-quinoxalin-6-ylacetamide has a molecular weight of 415.29 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis(trifluoromethyl)phenoxy]-N-quinoxalin-6-ylacetamide is sourced from PubChem (CID 112845789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).