N-[2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]ethyl]-2-methylfuran-3-carboxamide

C22H17F3N2O2 — CID 166586083

About N-[2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]ethyl]-2-methylfuran-3-carboxamide

N-[2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]ethyl]-2-methylfuran-3-carboxamide (PubChem CID 166586083) has the molecular formula C22H17F3N2O2 and a molecular weight of 398.38 g/mol. Its IUPAC name is N-[2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]ethyl]-2-methylfuran-3-carboxamide.

Molecular Properties

• Compound Name: N-[2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]ethyl]-2-methylfuran-3-carboxamide
• PubChem CID: 166586083
• Molecular Formula: C22H17F3N2O2
• Molecular Weight: 398.38 g/mol
• Exact Mass: 398.12
• IUPAC Name: N-[2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]ethyl]-2-methylfuran-3-carboxamide
• SMILES: Cc1occc1C(=O)NCCc1c(-c2ccc(F)cc2)[nH]c2c(F)cc(F)cc12
• InChI: InChI=1S/C22H17F3N2O2/c1-12-16(7-9-29-12)22(28)26-8-6-17-18-10-15(24)11-19(25)21(18)27-20(17)13-2-4-14(23)5-3-13/h2-5,7,9-11,27H,6,8H2,1H3,(H,26,28)
• InChIKey: TWMNICAJIMMTDQ-UHFFFAOYSA-N
• XLogP: 5.13
• TPSA: 58.03 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	398.38
LogP ≤ 5	5.13
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-[2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]ethyl]-2-methylfuran-3-carboxamide?

The IUPAC name of N-[2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]ethyl]-2-methylfuran-3-carboxamide (CID 166586083) is N-[2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]ethyl]-2-methylfuran-3-carboxamide.

What is the SMILES notation for N-[2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]ethyl]-2-methylfuran-3-carboxamide?

The canonical SMILES for N-[2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]ethyl]-2-methylfuran-3-carboxamide is Cc1occc1C(=O)NCCc1c(-c2ccc(F)cc2)[nH]c2c(F)cc(F)cc12.

What is the InChIKey of N-[2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]ethyl]-2-methylfuran-3-carboxamide?

The InChIKey is TWMNICAJIMMTDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3N2O2/c1-12-16(7-9-29-12)22(28)26-8-6-17-18-10-15(24)11-19(25)21(18)27-20(17)13-2-4-14(23)5-3-13/h2-5,7,9-11,27H,6,8H2,1H3,(H,26,28).

What are the key properties of N-[2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]ethyl]-2-methylfuran-3-carboxamide?

N-[2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]ethyl]-2-methylfuran-3-carboxamide has a molecular weight of 398.38 g/mol, XLogP of 5.13, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]ethyl]-2-methylfuran-3-carboxamide is sourced from PubChem (CID 166586083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).