N-[(1-hydroxy-5,6-dimethoxy-2,3-dihydroinden-1-yl)methyl]-3-pyrrol-1-ylbenzamide

C23H24N2O4 — CID 110311245

About N-[(1-hydroxy-5,6-dimethoxy-2,3-dihydroinden-1-yl)methyl]-3-pyrrol-1-ylbenzamide

N-[(1-hydroxy-5,6-dimethoxy-2,3-dihydroinden-1-yl)methyl]-3-pyrrol-1-ylbenzamide (PubChem CID 110311245) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-[(1-hydroxy-5,6-dimethoxy-2,3-dihydroinden-1-yl)methyl]-3-pyrrol-1-ylbenzamide.

Molecular Properties

• Compound Name: N-[(1-hydroxy-5,6-dimethoxy-2,3-dihydroinden-1-yl)methyl]-3-pyrrol-1-ylbenzamide
• PubChem CID: 110311245
• Molecular Formula: C23H24N2O4
• Molecular Weight: 392.46 g/mol
• Exact Mass: 392.17
• IUPAC Name: N-[(1-hydroxy-5,6-dimethoxy-2,3-dihydroinden-1-yl)methyl]-3-pyrrol-1-ylbenzamide
• SMILES: COc1cc2c(cc1OC)C(O)(CNC(=O)c1cccc(-n3cccc3)c1)CC2
• InChI: InChI=1S/C23H24N2O4/c1-28-20-13-16-8-9-23(27,19(16)14-21(20)29-2)15-24-22(26)17-6-5-7-18(12-17)25-10-3-4-11-25/h3-7,10-14,27H,8-9,15H2,1-2H3,(H,24,26)
• InChIKey: GDABFFZMTAPMLP-UHFFFAOYSA-N
• XLogP: 3.06
• TPSA: 72.72 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	392.46
LogP ≤ 5	3.06
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxy-5,6-dimethoxy-2,3-dihydroinden-1-yl)methyl]-3-pyrrol-1-ylbenzamide?

The IUPAC name of N-[(1-hydroxy-5,6-dimethoxy-2,3-dihydroinden-1-yl)methyl]-3-pyrrol-1-ylbenzamide (CID 110311245) is N-[(1-hydroxy-5,6-dimethoxy-2,3-dihydroinden-1-yl)methyl]-3-pyrrol-1-ylbenzamide.

What is the SMILES notation for N-[(1-hydroxy-5,6-dimethoxy-2,3-dihydroinden-1-yl)methyl]-3-pyrrol-1-ylbenzamide?

The canonical SMILES for N-[(1-hydroxy-5,6-dimethoxy-2,3-dihydroinden-1-yl)methyl]-3-pyrrol-1-ylbenzamide is COc1cc2c(cc1OC)C(O)(CNC(=O)c1cccc(-n3cccc3)c1)CC2.

What is the InChIKey of N-[(1-hydroxy-5,6-dimethoxy-2,3-dihydroinden-1-yl)methyl]-3-pyrrol-1-ylbenzamide?

The InChIKey is GDABFFZMTAPMLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4/c1-28-20-13-16-8-9-23(27,19(16)14-21(20)29-2)15-24-22(26)17-6-5-7-18(12-17)25-10-3-4-11-25/h3-7,10-14,27H,8-9,15H2,1-2H3,(H,24,26).

What are the key properties of N-[(1-hydroxy-5,6-dimethoxy-2,3-dihydroinden-1-yl)methyl]-3-pyrrol-1-ylbenzamide?

N-[(1-hydroxy-5,6-dimethoxy-2,3-dihydroinden-1-yl)methyl]-3-pyrrol-1-ylbenzamide has a molecular weight of 392.46 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1-hydroxy-5,6-dimethoxy-2,3-dihydroinden-1-yl)methyl]-3-pyrrol-1-ylbenzamide is sourced from PubChem (CID 110311245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).