3-[5-fluoro-2-(4-methoxyphenyl)-1H-indol-3-yl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide

C25H25FN2O3 — CID 18160431

About 3-[5-fluoro-2-(4-methoxyphenyl)-1H-indol-3-yl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide

3-[5-fluoro-2-(4-methoxyphenyl)-1H-indol-3-yl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide (PubChem CID 18160431) has the molecular formula C25H25FN2O3 and a molecular weight of 420.48 g/mol. Its IUPAC name is 3-[5-fluoro-2-(4-methoxyphenyl)-1H-indol-3-yl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide.

Molecular Properties

• Compound Name: 3-[5-fluoro-2-(4-methoxyphenyl)-1H-indol-3-yl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
• PubChem CID: 18160431
• Molecular Formula: C25H25FN2O3
• Molecular Weight: 420.48 g/mol
• Exact Mass: 420.18
• IUPAC Name: 3-[5-fluoro-2-(4-methoxyphenyl)-1H-indol-3-yl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
• SMILES: COc1ccc(-c2[nH]c3ccc(F)cc3c2CCC(=O)N(C)Cc2ccc(C)o2)cc1
• InChI: InChI=1S/C25H25FN2O3/c1-16-4-8-20(31-16)15-28(2)24(29)13-11-21-22-14-18(26)7-12-23(22)27-25(21)17-5-9-19(30-3)10-6-17/h4-10,12,14,27H,11,13,15H2,1-3H3
• InChIKey: VVIFDNBIVXKZFO-UHFFFAOYSA-N
• XLogP: 5.48
• TPSA: 58.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	420.48
LogP ≤ 5	5.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 3-[5-fluoro-2-(4-methoxyphenyl)-1H-indol-3-yl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide?

The IUPAC name of 3-[5-fluoro-2-(4-methoxyphenyl)-1H-indol-3-yl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide (CID 18160431) is 3-[5-fluoro-2-(4-methoxyphenyl)-1H-indol-3-yl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide.

What is the SMILES notation for 3-[5-fluoro-2-(4-methoxyphenyl)-1H-indol-3-yl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide?

The canonical SMILES for 3-[5-fluoro-2-(4-methoxyphenyl)-1H-indol-3-yl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide is COc1ccc(-c2[nH]c3ccc(F)cc3c2CCC(=O)N(C)Cc2ccc(C)o2)cc1.

What is the InChIKey of 3-[5-fluoro-2-(4-methoxyphenyl)-1H-indol-3-yl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide?

The InChIKey is VVIFDNBIVXKZFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN2O3/c1-16-4-8-20(31-16)15-28(2)24(29)13-11-21-22-14-18(26)7-12-23(22)27-25(21)17-5-9-19(30-3)10-6-17/h4-10,12,14,27H,11,13,15H2,1-3H3.

What are the key properties of 3-[5-fluoro-2-(4-methoxyphenyl)-1H-indol-3-yl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide?

3-[5-fluoro-2-(4-methoxyphenyl)-1H-indol-3-yl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide has a molecular weight of 420.48 g/mol, XLogP of 5.48, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-fluoro-2-(4-methoxyphenyl)-1H-indol-3-yl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide is sourced from PubChem (CID 18160431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).