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

C16H12ClF3N2O2 — CID 71239394

IUPAC2-[3-chloro-2-(trifluoromethyl)phenyl]-N-(2,3-dihydrofuro[2,3-b]pyridin-3-yl)acetamide
SMILESO=C(Cc1cccc(Cl)c1C(F)(F)F)NC1COc2ncccc21
InChIInChI=1S/C16H12ClF3N2O2/c17-11-5-1-3-9(14(11)16(18,19)20)7-13(23)22-12-8-24-15-10(12)4-2-6-21-15/h1-6,12H,7-8H2,(H,22,23)
InChIKeyAZKNCGJKZAQWKA-UHFFFAOYSA-N
MW356.73 g/mol
LogP3.55
Rot. Bonds3

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

2-[3-chloro-2-(trifluoromethyl)phenyl]-N-(2,3-dihydrofuro[2,3-b]pyridin-3-yl)acetamide (PubChem CID 71239394) has the molecular formula C16H12ClF3N2O2 and a molecular weight of 356.73 g/mol. Its IUPAC name is 2-[3-chloro-2-(trifluoromethyl)phenyl]-N-(2,3-dihydrofuro[2,3-b]pyridin-3-yl)acetamide.

Molecular Properties

Compound Name2-[3-chloro-2-(trifluoromethyl)phenyl]-N-(2,3-dihydrofuro[2,3-b]pyridin-3-yl)acetamide
PubChem CID71239394
Molecular FormulaC16H12ClF3N2O2
Molecular Weight356.73 g/mol
Exact Mass356.05
IUPAC Name2-[3-chloro-2-(trifluoromethyl)phenyl]-N-(2,3-dihydrofuro[2,3-b]pyridin-3-yl)acetamide
SMILESO=C(Cc1cccc(Cl)c1C(F)(F)F)NC1COc2ncccc21
InChIInChI=1S/C16H12ClF3N2O2/c17-11-5-1-3-9(14(11)16(18,19)20)7-13(23)22-12-8-24-15-10(12)4-2-6-21-15/h1-6,12H,7-8H2,(H,22,23)
InChIKeyAZKNCGJKZAQWKA-UHFFFAOYSA-N
XLogP3.55
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.73
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-2-(trifluoromethyl)phenyl]-N-(2,3-dihydrofuro[2,3-b]pyridin-3-yl)acetamide?
The IUPAC name of 2-[3-chloro-2-(trifluoromethyl)phenyl]-N-(2,3-dihydrofuro[2,3-b]pyridin-3-yl)acetamide (CID 71239394) is 2-[3-chloro-2-(trifluoromethyl)phenyl]-N-(2,3-dihydrofuro[2,3-b]pyridin-3-yl)acetamide.
What is the SMILES notation for 2-[3-chloro-2-(trifluoromethyl)phenyl]-N-(2,3-dihydrofuro[2,3-b]pyridin-3-yl)acetamide?
The canonical SMILES for 2-[3-chloro-2-(trifluoromethyl)phenyl]-N-(2,3-dihydrofuro[2,3-b]pyridin-3-yl)acetamide is O=C(Cc1cccc(Cl)c1C(F)(F)F)NC1COc2ncccc21.
What is the InChIKey of 2-[3-chloro-2-(trifluoromethyl)phenyl]-N-(2,3-dihydrofuro[2,3-b]pyridin-3-yl)acetamide?
The InChIKey is AZKNCGJKZAQWKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClF3N2O2/c17-11-5-1-3-9(14(11)16(18,19)20)7-13(23)22-12-8-24-15-10(12)4-2-6-21-15/h1-6,12H,7-8H2,(H,22,23).
What are the key properties of 2-[3-chloro-2-(trifluoromethyl)phenyl]-N-(2,3-dihydrofuro[2,3-b]pyridin-3-yl)acetamide?
2-[3-chloro-2-(trifluoromethyl)phenyl]-N-(2,3-dihydrofuro[2,3-b]pyridin-3-yl)acetamide has a molecular weight of 356.73 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-2-(trifluoromethyl)phenyl]-N-(2,3-dihydrofuro[2,3-b]pyridin-3-yl)acetamide is sourced from PubChem (CID 71239394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).