5-chloro-1-methyl-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]indole-2-carboxamide

C19H17ClF3N3O2 — CID 67290649

About 5-chloro-1-methyl-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]indole-2-carboxamide

5-chloro-1-methyl-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]indole-2-carboxamide (PubChem CID 67290649) has the molecular formula C19H17ClF3N3O2 and a molecular weight of 411.81 g/mol. Its IUPAC name is 5-chloro-1-methyl-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]indole-2-carboxamide.

Molecular Properties

• Compound Name: 5-chloro-1-methyl-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]indole-2-carboxamide
• PubChem CID: 67290649
• Molecular Formula: C19H17ClF3N3O2
• Molecular Weight: 411.81 g/mol
• Exact Mass: 411.10
• IUPAC Name: 5-chloro-1-methyl-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]indole-2-carboxamide
• SMILES: CC(NC(=O)c1cc2cc(Cl)ccc2n1C)c1ccc(OCC(F)(F)F)cn1
• InChI: InChI=1S/C19H17ClF3N3O2/c1-11(15-5-4-14(9-24-15)28-10-19(21,22)23)25-18(27)17-8-12-7-13(20)3-6-16(12)26(17)2/h3-9,11H,10H2,1-2H3,(H,25,27)
• InChIKey: VSUNFPLWCGBHQQ-UHFFFAOYSA-N
• XLogP: 4.66
• TPSA: 56.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	411.81
LogP ≤ 5	4.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-methyl-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]indole-2-carboxamide?

The IUPAC name of 5-chloro-1-methyl-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]indole-2-carboxamide (CID 67290649) is 5-chloro-1-methyl-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]indole-2-carboxamide.

What is the SMILES notation for 5-chloro-1-methyl-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]indole-2-carboxamide?

The canonical SMILES for 5-chloro-1-methyl-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]indole-2-carboxamide is CC(NC(=O)c1cc2cc(Cl)ccc2n1C)c1ccc(OCC(F)(F)F)cn1.

What is the InChIKey of 5-chloro-1-methyl-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]indole-2-carboxamide?

The InChIKey is VSUNFPLWCGBHQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClF3N3O2/c1-11(15-5-4-14(9-24-15)28-10-19(21,22)23)25-18(27)17-8-12-7-13(20)3-6-16(12)26(17)2/h3-9,11H,10H2,1-2H3,(H,25,27).

What are the key properties of 5-chloro-1-methyl-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]indole-2-carboxamide?

5-chloro-1-methyl-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]indole-2-carboxamide has a molecular weight of 411.81 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-1-methyl-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]indole-2-carboxamide is sourced from PubChem (CID 67290649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).