N-(2,3-dihydrofuro[2,3-b]pyridin-3-yl)-2-[4-fluoro-2-(trifluoromethyl)phenyl]acetamide

C16H12F4N2O2 — CID 71239419

IUPACN-(2,3-dihydrofuro[2,3-b]pyridin-3-yl)-2-[4-fluoro-2-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cc1ccc(F)cc1C(F)(F)F)NC1COc2ncccc21
InChIInChI=1S/C16H12F4N2O2/c17-10-4-3-9(12(7-10)16(18,19)20)6-14(23)22-13-8-24-15-11(13)2-1-5-21-15/h1-5,7,13H,6,8H2,(H,22,23)
InChIKeyPUOGTSPWWABJMK-UHFFFAOYSA-N
MW340.28 g/mol
LogP3.03
Rot. Bonds3

About N-(2,3-dihydrofuro[2,3-b]pyridin-3-yl)-2-[4-fluoro-2-(trifluoromethyl)phenyl]acetamide

N-(2,3-dihydrofuro[2,3-b]pyridin-3-yl)-2-[4-fluoro-2-(trifluoromethyl)phenyl]acetamide (PubChem CID 71239419) has the molecular formula C16H12F4N2O2 and a molecular weight of 340.28 g/mol. Its IUPAC name is N-(2,3-dihydrofuro[2,3-b]pyridin-3-yl)-2-[4-fluoro-2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-(2,3-dihydrofuro[2,3-b]pyridin-3-yl)-2-[4-fluoro-2-(trifluoromethyl)phenyl]acetamide
PubChem CID71239419
Molecular FormulaC16H12F4N2O2
Molecular Weight340.28 g/mol
Exact Mass340.08
IUPAC NameN-(2,3-dihydrofuro[2,3-b]pyridin-3-yl)-2-[4-fluoro-2-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cc1ccc(F)cc1C(F)(F)F)NC1COc2ncccc21
InChIInChI=1S/C16H12F4N2O2/c17-10-4-3-9(12(7-10)16(18,19)20)6-14(23)22-13-8-24-15-11(13)2-1-5-21-15/h1-5,7,13H,6,8H2,(H,22,23)
InChIKeyPUOGTSPWWABJMK-UHFFFAOYSA-N
XLogP3.03
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.28
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydrofuro[2,3-b]pyridin-3-yl)-2-[4-fluoro-2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-(2,3-dihydrofuro[2,3-b]pyridin-3-yl)-2-[4-fluoro-2-(trifluoromethyl)phenyl]acetamide (CID 71239419) is N-(2,3-dihydrofuro[2,3-b]pyridin-3-yl)-2-[4-fluoro-2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-(2,3-dihydrofuro[2,3-b]pyridin-3-yl)-2-[4-fluoro-2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-(2,3-dihydrofuro[2,3-b]pyridin-3-yl)-2-[4-fluoro-2-(trifluoromethyl)phenyl]acetamide is O=C(Cc1ccc(F)cc1C(F)(F)F)NC1COc2ncccc21.
What is the InChIKey of N-(2,3-dihydrofuro[2,3-b]pyridin-3-yl)-2-[4-fluoro-2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is PUOGTSPWWABJMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F4N2O2/c17-10-4-3-9(12(7-10)16(18,19)20)6-14(23)22-13-8-24-15-11(13)2-1-5-21-15/h1-5,7,13H,6,8H2,(H,22,23).
What are the key properties of N-(2,3-dihydrofuro[2,3-b]pyridin-3-yl)-2-[4-fluoro-2-(trifluoromethyl)phenyl]acetamide?
N-(2,3-dihydrofuro[2,3-b]pyridin-3-yl)-2-[4-fluoro-2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 340.28 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydrofuro[2,3-b]pyridin-3-yl)-2-[4-fluoro-2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 71239419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).