3,6,7-trimethyl-N-[(1R)-2,2,2-trifluoro-1-pyridin-3-ylethyl]-1-benzofuran-2-carboxamide

C19H17F3N2O2 — CID 29105538

About 3,6,7-trimethyl-N-[(1R)-2,2,2-trifluoro-1-pyridin-3-ylethyl]-1-benzofuran-2-carboxamide

3,6,7-trimethyl-N-[(1R)-2,2,2-trifluoro-1-pyridin-3-ylethyl]-1-benzofuran-2-carboxamide (PubChem CID 29105538) has the molecular formula C19H17F3N2O2 and a molecular weight of 362.35 g/mol. Its IUPAC name is 3,6,7-trimethyl-N-[(1R)-2,2,2-trifluoro-1-pyridin-3-ylethyl]-1-benzofuran-2-carboxamide.

Molecular Properties

• Compound Name: 3,6,7-trimethyl-N-[(1R)-2,2,2-trifluoro-1-pyridin-3-ylethyl]-1-benzofuran-2-carboxamide
• PubChem CID: 29105538
• Molecular Formula: C19H17F3N2O2
• Molecular Weight: 362.35 g/mol
• Exact Mass: 362.12
• IUPAC Name: 3,6,7-trimethyl-N-[(1R)-2,2,2-trifluoro-1-pyridin-3-ylethyl]-1-benzofuran-2-carboxamide
• SMILES: Cc1ccc2c(C)c(C(=O)N[C@H](c3cccnc3)C(F)(F)F)oc2c1C
• InChI: InChI=1S/C19H17F3N2O2/c1-10-6-7-14-12(3)16(26-15(14)11(10)2)18(25)24-17(19(20,21)22)13-5-4-8-23-9-13/h4-9,17H,1-3H3,(H,24,25)/t17-/m1/s1
• InChIKey: IVEUNYXHLPUMEY-QGZVFWFLSA-N
• XLogP: 4.79
• TPSA: 55.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	362.35
LogP ≤ 5	4.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 3,6,7-trimethyl-N-[(1R)-2,2,2-trifluoro-1-pyridin-3-ylethyl]-1-benzofuran-2-carboxamide?

The IUPAC name of 3,6,7-trimethyl-N-[(1R)-2,2,2-trifluoro-1-pyridin-3-ylethyl]-1-benzofuran-2-carboxamide (CID 29105538) is 3,6,7-trimethyl-N-[(1R)-2,2,2-trifluoro-1-pyridin-3-ylethyl]-1-benzofuran-2-carboxamide.

What is the SMILES notation for 3,6,7-trimethyl-N-[(1R)-2,2,2-trifluoro-1-pyridin-3-ylethyl]-1-benzofuran-2-carboxamide?

The canonical SMILES for 3,6,7-trimethyl-N-[(1R)-2,2,2-trifluoro-1-pyridin-3-ylethyl]-1-benzofuran-2-carboxamide is Cc1ccc2c(C)c(C(=O)N[C@H](c3cccnc3)C(F)(F)F)oc2c1C.

What is the InChIKey of 3,6,7-trimethyl-N-[(1R)-2,2,2-trifluoro-1-pyridin-3-ylethyl]-1-benzofuran-2-carboxamide?

The InChIKey is IVEUNYXHLPUMEY-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H17F3N2O2/c1-10-6-7-14-12(3)16(26-15(14)11(10)2)18(25)24-17(19(20,21)22)13-5-4-8-23-9-13/h4-9,17H,1-3H3,(H,24,25)/t17-/m1/s1.

What are the key properties of 3,6,7-trimethyl-N-[(1R)-2,2,2-trifluoro-1-pyridin-3-ylethyl]-1-benzofuran-2-carboxamide?

3,6,7-trimethyl-N-[(1R)-2,2,2-trifluoro-1-pyridin-3-ylethyl]-1-benzofuran-2-carboxamide has a molecular weight of 362.35 g/mol, XLogP of 4.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3,6,7-trimethyl-N-[(1R)-2,2,2-trifluoro-1-pyridin-3-ylethyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 29105538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).