N-[1-(5-fluoro-1H-indol-3-yl)-3-hydroxypropan-2-yl]-5-[4-(methylcarbamoyl)phenyl]-2-propoxybenzamide

C29H30FN3O4 — CID 58832166

About N-[1-(5-fluoro-1H-indol-3-yl)-3-hydroxypropan-2-yl]-5-[4-(methylcarbamoyl)phenyl]-2-propoxybenzamide

N-[1-(5-fluoro-1H-indol-3-yl)-3-hydroxypropan-2-yl]-5-[4-(methylcarbamoyl)phenyl]-2-propoxybenzamide (PubChem CID 58832166) has the molecular formula C29H30FN3O4 and a molecular weight of 503.57 g/mol. Its IUPAC name is N-[1-(5-fluoro-1H-indol-3-yl)-3-hydroxypropan-2-yl]-5-[4-(methylcarbamoyl)phenyl]-2-propoxybenzamide.

Molecular Properties

• Compound Name: N-[1-(5-fluoro-1H-indol-3-yl)-3-hydroxypropan-2-yl]-5-[4-(methylcarbamoyl)phenyl]-2-propoxybenzamide
• PubChem CID: 58832166
• Molecular Formula: C29H30FN3O4
• Molecular Weight: 503.57 g/mol
• Exact Mass: 503.22
• IUPAC Name: N-[1-(5-fluoro-1H-indol-3-yl)-3-hydroxypropan-2-yl]-5-[4-(methylcarbamoyl)phenyl]-2-propoxybenzamide
• SMILES: CCCOc1ccc(-c2ccc(C(=O)NC)cc2)cc1C(=O)NC(CO)Cc1c[nH]c2ccc(F)cc12
• InChI: InChI=1S/C29H30FN3O4/c1-3-12-37-27-11-8-20(18-4-6-19(7-5-18)28(35)31-2)14-25(27)29(36)33-23(17-34)13-21-16-32-26-10-9-22(30)15-24(21)26/h4-11,14-16,23,32,34H,3,12-13,17H2,1-2H3,(H,31,35)(H,33,36)
• InChIKey: FRAYYAOSOWVSHV-UHFFFAOYSA-N
• XLogP: 4.46
• TPSA: 103.45 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	503.57
LogP ≤ 5	4.46
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-fluoro-1H-indol-3-yl)-3-hydroxypropan-2-yl]-5-[4-(methylcarbamoyl)phenyl]-2-propoxybenzamide?

The IUPAC name of N-[1-(5-fluoro-1H-indol-3-yl)-3-hydroxypropan-2-yl]-5-[4-(methylcarbamoyl)phenyl]-2-propoxybenzamide (CID 58832166) is N-[1-(5-fluoro-1H-indol-3-yl)-3-hydroxypropan-2-yl]-5-[4-(methylcarbamoyl)phenyl]-2-propoxybenzamide.

What is the SMILES notation for N-[1-(5-fluoro-1H-indol-3-yl)-3-hydroxypropan-2-yl]-5-[4-(methylcarbamoyl)phenyl]-2-propoxybenzamide?

The canonical SMILES for N-[1-(5-fluoro-1H-indol-3-yl)-3-hydroxypropan-2-yl]-5-[4-(methylcarbamoyl)phenyl]-2-propoxybenzamide is CCCOc1ccc(-c2ccc(C(=O)NC)cc2)cc1C(=O)NC(CO)Cc1c[nH]c2ccc(F)cc12.

What is the InChIKey of N-[1-(5-fluoro-1H-indol-3-yl)-3-hydroxypropan-2-yl]-5-[4-(methylcarbamoyl)phenyl]-2-propoxybenzamide?

The InChIKey is FRAYYAOSOWVSHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30FN3O4/c1-3-12-37-27-11-8-20(18-4-6-19(7-5-18)28(35)31-2)14-25(27)29(36)33-23(17-34)13-21-16-32-26-10-9-22(30)15-24(21)26/h4-11,14-16,23,32,34H,3,12-13,17H2,1-2H3,(H,31,35)(H,33,36).

What are the key properties of N-[1-(5-fluoro-1H-indol-3-yl)-3-hydroxypropan-2-yl]-5-[4-(methylcarbamoyl)phenyl]-2-propoxybenzamide?

N-[1-(5-fluoro-1H-indol-3-yl)-3-hydroxypropan-2-yl]-5-[4-(methylcarbamoyl)phenyl]-2-propoxybenzamide has a molecular weight of 503.57 g/mol, XLogP of 4.46, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(5-fluoro-1H-indol-3-yl)-3-hydroxypropan-2-yl]-5-[4-(methylcarbamoyl)phenyl]-2-propoxybenzamide is sourced from PubChem (CID 58832166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).