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

C17H14ClF3N2O2 — CID 71239211

IUPAC2-[2-chloro-3-(trifluoromethyl)phenyl]-N-(2,3-dihydrofuro[2,3-b]pyridin-3-yl)propanamide
SMILESCC(C(=O)NC1COc2ncccc21)c1cccc(C(F)(F)F)c1Cl
InChIInChI=1S/C17H14ClF3N2O2/c1-9(10-4-2-6-12(14(10)18)17(19,20)21)15(24)23-13-8-25-16-11(13)5-3-7-22-16/h2-7,9,13H,8H2,1H3,(H,23,24)
InChIKeyCGZWZKJDTFHJQE-UHFFFAOYSA-N
MW370.76 g/mol
LogP4.11
Rot. Bonds3

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

2-[2-chloro-3-(trifluoromethyl)phenyl]-N-(2,3-dihydrofuro[2,3-b]pyridin-3-yl)propanamide (PubChem CID 71239211) has the molecular formula C17H14ClF3N2O2 and a molecular weight of 370.76 g/mol. Its IUPAC name is 2-[2-chloro-3-(trifluoromethyl)phenyl]-N-(2,3-dihydrofuro[2,3-b]pyridin-3-yl)propanamide.

Molecular Properties

Compound Name2-[2-chloro-3-(trifluoromethyl)phenyl]-N-(2,3-dihydrofuro[2,3-b]pyridin-3-yl)propanamide
PubChem CID71239211
Molecular FormulaC17H14ClF3N2O2
Molecular Weight370.76 g/mol
Exact Mass370.07
IUPAC Name2-[2-chloro-3-(trifluoromethyl)phenyl]-N-(2,3-dihydrofuro[2,3-b]pyridin-3-yl)propanamide
SMILESCC(C(=O)NC1COc2ncccc21)c1cccc(C(F)(F)F)c1Cl
InChIInChI=1S/C17H14ClF3N2O2/c1-9(10-4-2-6-12(14(10)18)17(19,20)21)15(24)23-13-8-25-16-11(13)5-3-7-22-16/h2-7,9,13H,8H2,1H3,(H,23,24)
InChIKeyCGZWZKJDTFHJQE-UHFFFAOYSA-N
XLogP4.11
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.76
LogP ≤ 54.11
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-(2,3-dihydrofuro[2,3-b]pyridin-3-yl)propanamide?
The IUPAC name of 2-[2-chloro-3-(trifluoromethyl)phenyl]-N-(2,3-dihydrofuro[2,3-b]pyridin-3-yl)propanamide (CID 71239211) is 2-[2-chloro-3-(trifluoromethyl)phenyl]-N-(2,3-dihydrofuro[2,3-b]pyridin-3-yl)propanamide.
What is the SMILES notation for 2-[2-chloro-3-(trifluoromethyl)phenyl]-N-(2,3-dihydrofuro[2,3-b]pyridin-3-yl)propanamide?
The canonical SMILES for 2-[2-chloro-3-(trifluoromethyl)phenyl]-N-(2,3-dihydrofuro[2,3-b]pyridin-3-yl)propanamide is CC(C(=O)NC1COc2ncccc21)c1cccc(C(F)(F)F)c1Cl.
What is the InChIKey of 2-[2-chloro-3-(trifluoromethyl)phenyl]-N-(2,3-dihydrofuro[2,3-b]pyridin-3-yl)propanamide?
The InChIKey is CGZWZKJDTFHJQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClF3N2O2/c1-9(10-4-2-6-12(14(10)18)17(19,20)21)15(24)23-13-8-25-16-11(13)5-3-7-22-16/h2-7,9,13H,8H2,1H3,(H,23,24).
What are the key properties of 2-[2-chloro-3-(trifluoromethyl)phenyl]-N-(2,3-dihydrofuro[2,3-b]pyridin-3-yl)propanamide?
2-[2-chloro-3-(trifluoromethyl)phenyl]-N-(2,3-dihydrofuro[2,3-b]pyridin-3-yl)propanamide has a molecular weight of 370.76 g/mol, XLogP of 4.11, 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-(2,3-dihydrofuro[2,3-b]pyridin-3-yl)propanamide is sourced from PubChem (CID 71239211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).