2-phenoxy-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]benzamide

C22H19F3N2O3 — CID 118497754

IUPAC2-phenoxy-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]benzamide
SMILESCC(NC(=O)c1ccccc1Oc1ccccc1)c1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/C22H19F3N2O3/c1-15(16-11-12-20(26-13-16)29-14-22(23,24)25)27-21(28)18-9-5-6-10-19(18)30-17-7-3-2-4-8-17/h2-13,15H,14H2,1H3,(H,27,28)
InChIKeyUUDOLEUSZARUPF-UHFFFAOYSA-N
MW416.40 g/mol
LogP5.31
Rot. Bonds7

About 2-phenoxy-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]benzamide

2-phenoxy-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]benzamide (PubChem CID 118497754) has the molecular formula C22H19F3N2O3 and a molecular weight of 416.40 g/mol. Its IUPAC name is 2-phenoxy-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]benzamide.

Molecular Properties

Compound Name2-phenoxy-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]benzamide
PubChem CID118497754
Molecular FormulaC22H19F3N2O3
Molecular Weight416.40 g/mol
Exact Mass416.13
IUPAC Name2-phenoxy-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]benzamide
SMILESCC(NC(=O)c1ccccc1Oc1ccccc1)c1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/C22H19F3N2O3/c1-15(16-11-12-20(26-13-16)29-14-22(23,24)25)27-21(28)18-9-5-6-10-19(18)30-17-7-3-2-4-8-17/h2-13,15H,14H2,1H3,(H,27,28)
InChIKeyUUDOLEUSZARUPF-UHFFFAOYSA-N
XLogP5.31
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.40
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide
CID 174699847
2-phenoxy-N-[(1R)-1-pyridin-3-ylethyl]benzamide
CID 9468013
N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]-4-(trifluoromethoxy)benzamide
CID 75303570
N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]-1,2-benzoxazole-3-carboxamide
CID 67511565
3-[[N'-(2-methylpropyl)carbamimidoyl]amino]-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide
CID 150126258
2-bromo-6-methyl-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide
CID 87426946
3-amino-6-methyl-2-(2-methylprop-2-enoyl)-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide
CID 174687512
2-acetamido-6-methyl-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide
CID 67511304
2-(2-oxopentyl)-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide
CID 158848716
2-ethyl-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]quinoline-6-carboxamide
CID 142764995
2-methyl-6-(propanoylamino)-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide
CID 67508904
4-phenoxy-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]benzamide
CID 67290329

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]benzamide?
The IUPAC name of 2-phenoxy-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]benzamide (CID 118497754) is 2-phenoxy-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]benzamide.
What is the SMILES notation for 2-phenoxy-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]benzamide?
The canonical SMILES for 2-phenoxy-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]benzamide is CC(NC(=O)c1ccccc1Oc1ccccc1)c1ccc(OCC(F)(F)F)nc1.
What is the InChIKey of 2-phenoxy-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]benzamide?
The InChIKey is UUDOLEUSZARUPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N2O3/c1-15(16-11-12-20(26-13-16)29-14-22(23,24)25)27-21(28)18-9-5-6-10-19(18)30-17-7-3-2-4-8-17/h2-13,15H,14H2,1H3,(H,27,28).
What are the key properties of 2-phenoxy-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]benzamide?
2-phenoxy-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]benzamide has a molecular weight of 416.40 g/mol, XLogP of 5.31, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]benzamide is sourced from PubChem (CID 118497754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).