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

C17H11ClF6N2O2 — CID 71496377

IUPAC2-[2-chloro-3-(trifluoromethyl)phenyl]-N-[4-(trifluoromethyl)-2,3-dihydrofuro[2,3-b]pyridin-3-yl]acetamide
SMILESO=C(Cc1cccc(C(F)(F)F)c1Cl)NC1COc2nccc(C(F)(F)F)c21
InChIInChI=1S/C17H11ClF6N2O2/c18-14-8(2-1-3-10(14)17(22,23)24)6-12(27)26-11-7-28-15-13(11)9(4-5-25-15)16(19,20)21/h1-5,11H,6-7H2,(H,26,27)
InChIKeyGYBNWPLSBXULEW-UHFFFAOYSA-N
MW424.73 g/mol
LogP4.57
Rot. Bonds3

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

2-[2-chloro-3-(trifluoromethyl)phenyl]-N-[4-(trifluoromethyl)-2,3-dihydrofuro[2,3-b]pyridin-3-yl]acetamide (PubChem CID 71496377) has the molecular formula C17H11ClF6N2O2 and a molecular weight of 424.73 g/mol. Its IUPAC name is 2-[2-chloro-3-(trifluoromethyl)phenyl]-N-[4-(trifluoromethyl)-2,3-dihydrofuro[2,3-b]pyridin-3-yl]acetamide.

Molecular Properties

Compound Name2-[2-chloro-3-(trifluoromethyl)phenyl]-N-[4-(trifluoromethyl)-2,3-dihydrofuro[2,3-b]pyridin-3-yl]acetamide
PubChem CID71496377
Molecular FormulaC17H11ClF6N2O2
Molecular Weight424.73 g/mol
Exact Mass424.04
IUPAC Name2-[2-chloro-3-(trifluoromethyl)phenyl]-N-[4-(trifluoromethyl)-2,3-dihydrofuro[2,3-b]pyridin-3-yl]acetamide
SMILESO=C(Cc1cccc(C(F)(F)F)c1Cl)NC1COc2nccc(C(F)(F)F)c21
InChIInChI=1S/C17H11ClF6N2O2/c18-14-8(2-1-3-10(14)17(22,23)24)6-12(27)26-11-7-28-15-13(11)9(4-5-25-15)16(19,20)21/h1-5,11H,6-7H2,(H,26,27)
InChIKeyGYBNWPLSBXULEW-UHFFFAOYSA-N
XLogP4.57
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.73
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-3-(trifluoromethyl)phenyl]-N-[4-(trifluoromethyl)-2,3-dihydrofuro[2,3-b]pyridin-3-yl]acetamide?
The IUPAC name of 2-[2-chloro-3-(trifluoromethyl)phenyl]-N-[4-(trifluoromethyl)-2,3-dihydrofuro[2,3-b]pyridin-3-yl]acetamide (CID 71496377) is 2-[2-chloro-3-(trifluoromethyl)phenyl]-N-[4-(trifluoromethyl)-2,3-dihydrofuro[2,3-b]pyridin-3-yl]acetamide.
What is the SMILES notation for 2-[2-chloro-3-(trifluoromethyl)phenyl]-N-[4-(trifluoromethyl)-2,3-dihydrofuro[2,3-b]pyridin-3-yl]acetamide?
The canonical SMILES for 2-[2-chloro-3-(trifluoromethyl)phenyl]-N-[4-(trifluoromethyl)-2,3-dihydrofuro[2,3-b]pyridin-3-yl]acetamide is O=C(Cc1cccc(C(F)(F)F)c1Cl)NC1COc2nccc(C(F)(F)F)c21.
What is the InChIKey of 2-[2-chloro-3-(trifluoromethyl)phenyl]-N-[4-(trifluoromethyl)-2,3-dihydrofuro[2,3-b]pyridin-3-yl]acetamide?
The InChIKey is GYBNWPLSBXULEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClF6N2O2/c18-14-8(2-1-3-10(14)17(22,23)24)6-12(27)26-11-7-28-15-13(11)9(4-5-25-15)16(19,20)21/h1-5,11H,6-7H2,(H,26,27).
What are the key properties of 2-[2-chloro-3-(trifluoromethyl)phenyl]-N-[4-(trifluoromethyl)-2,3-dihydrofuro[2,3-b]pyridin-3-yl]acetamide?
2-[2-chloro-3-(trifluoromethyl)phenyl]-N-[4-(trifluoromethyl)-2,3-dihydrofuro[2,3-b]pyridin-3-yl]acetamide has a molecular weight of 424.73 g/mol, XLogP of 4.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-3-(trifluoromethyl)phenyl]-N-[4-(trifluoromethyl)-2,3-dihydrofuro[2,3-b]pyridin-3-yl]acetamide is sourced from PubChem (CID 71496377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).