2-[3-cyano-2-(trifluoromethyl)phenyl]-N-(2,3-dihydrofuro[2,3-b]pyridin-3-yl)acetamide

C17H12F3N3O2 — CID 71239396

IUPAC2-[3-cyano-2-(trifluoromethyl)phenyl]-N-(2,3-dihydrofuro[2,3-b]pyridin-3-yl)acetamide
SMILESN#Cc1cccc(CC(=O)NC2COc3ncccc32)c1C(F)(F)F
InChIInChI=1S/C17H12F3N3O2/c18-17(19,20)15-10(3-1-4-11(15)8-21)7-14(24)23-13-9-25-16-12(13)5-2-6-22-16/h1-6,13H,7,9H2,(H,23,24)
InChIKeyRJCLFQXHGIVJFR-UHFFFAOYSA-N
MW347.30 g/mol
LogP2.76
Rot. Bonds3

About 2-[3-cyano-2-(trifluoromethyl)phenyl]-N-(2,3-dihydrofuro[2,3-b]pyridin-3-yl)acetamide

2-[3-cyano-2-(trifluoromethyl)phenyl]-N-(2,3-dihydrofuro[2,3-b]pyridin-3-yl)acetamide (PubChem CID 71239396) has the molecular formula C17H12F3N3O2 and a molecular weight of 347.30 g/mol. Its IUPAC name is 2-[3-cyano-2-(trifluoromethyl)phenyl]-N-(2,3-dihydrofuro[2,3-b]pyridin-3-yl)acetamide.

Molecular Properties

Compound Name2-[3-cyano-2-(trifluoromethyl)phenyl]-N-(2,3-dihydrofuro[2,3-b]pyridin-3-yl)acetamide
PubChem CID71239396
Molecular FormulaC17H12F3N3O2
Molecular Weight347.30 g/mol
Exact Mass347.09
IUPAC Name2-[3-cyano-2-(trifluoromethyl)phenyl]-N-(2,3-dihydrofuro[2,3-b]pyridin-3-yl)acetamide
SMILESN#Cc1cccc(CC(=O)NC2COc3ncccc32)c1C(F)(F)F
InChIInChI=1S/C17H12F3N3O2/c18-17(19,20)15-10(3-1-4-11(15)8-21)7-14(24)23-13-9-25-16-12(13)5-2-6-22-16/h1-6,13H,7,9H2,(H,23,24)
InChIKeyRJCLFQXHGIVJFR-UHFFFAOYSA-N
XLogP2.76
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.30
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-cyano-2-(trifluoromethyl)phenyl]-N-(2,3-dihydrofuro[2,3-b]pyridin-3-yl)acetamide?
The IUPAC name of 2-[3-cyano-2-(trifluoromethyl)phenyl]-N-(2,3-dihydrofuro[2,3-b]pyridin-3-yl)acetamide (CID 71239396) is 2-[3-cyano-2-(trifluoromethyl)phenyl]-N-(2,3-dihydrofuro[2,3-b]pyridin-3-yl)acetamide.
What is the SMILES notation for 2-[3-cyano-2-(trifluoromethyl)phenyl]-N-(2,3-dihydrofuro[2,3-b]pyridin-3-yl)acetamide?
The canonical SMILES for 2-[3-cyano-2-(trifluoromethyl)phenyl]-N-(2,3-dihydrofuro[2,3-b]pyridin-3-yl)acetamide is N#Cc1cccc(CC(=O)NC2COc3ncccc32)c1C(F)(F)F.
What is the InChIKey of 2-[3-cyano-2-(trifluoromethyl)phenyl]-N-(2,3-dihydrofuro[2,3-b]pyridin-3-yl)acetamide?
The InChIKey is RJCLFQXHGIVJFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N3O2/c18-17(19,20)15-10(3-1-4-11(15)8-21)7-14(24)23-13-9-25-16-12(13)5-2-6-22-16/h1-6,13H,7,9H2,(H,23,24).
What are the key properties of 2-[3-cyano-2-(trifluoromethyl)phenyl]-N-(2,3-dihydrofuro[2,3-b]pyridin-3-yl)acetamide?
2-[3-cyano-2-(trifluoromethyl)phenyl]-N-(2,3-dihydrofuro[2,3-b]pyridin-3-yl)acetamide has a molecular weight of 347.30 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-cyano-2-(trifluoromethyl)phenyl]-N-(2,3-dihydrofuro[2,3-b]pyridin-3-yl)acetamide is sourced from PubChem (CID 71239396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).