4-cyano-N-[[(2R)-1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]benzamide

C26H23N3O3 — CID 95081648

About 4-cyano-N-[[(2R)-1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]benzamide

4-cyano-N-[[(2R)-1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]benzamide (PubChem CID 95081648) has the molecular formula C26H23N3O3 and a molecular weight of 425.49 g/mol. Its IUPAC name is 4-cyano-N-[[(2R)-1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]benzamide.

Molecular Properties

• Compound Name: 4-cyano-N-[[(2R)-1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]benzamide
• PubChem CID: 95081648
• Molecular Formula: C26H23N3O3
• Molecular Weight: 425.49 g/mol
• Exact Mass: 425.17
• IUPAC Name: 4-cyano-N-[[(2R)-1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]benzamide
• SMILES: COc1ccc(C(=O)N2c3cc(CNC(=O)c4ccc(C#N)cc4)ccc3C[C@H]2C)cc1
• InChI: InChI=1S/C26H23N3O3/c1-17-13-22-8-5-19(16-28-25(30)20-6-3-18(15-27)4-7-20)14-24(22)29(17)26(31)21-9-11-23(32-2)12-10-21/h3-12,14,17H,13,16H2,1-2H3,(H,28,30)/t17-/m1/s1
• InChIKey: KVEPILUSXYCZEE-QGZVFWFLSA-N
• XLogP: 4.09
• TPSA: 82.43 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	425.49
LogP ≤ 5	4.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[[(2R)-1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]benzamide?

The IUPAC name of 4-cyano-N-[[(2R)-1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]benzamide (CID 95081648) is 4-cyano-N-[[(2R)-1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]benzamide.

What is the SMILES notation for 4-cyano-N-[[(2R)-1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]benzamide?

The canonical SMILES for 4-cyano-N-[[(2R)-1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]benzamide is COc1ccc(C(=O)N2c3cc(CNC(=O)c4ccc(C#N)cc4)ccc3C[C@H]2C)cc1.

What is the InChIKey of 4-cyano-N-[[(2R)-1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]benzamide?

The InChIKey is KVEPILUSXYCZEE-QGZVFWFLSA-N. The full InChI is InChI=1S/C26H23N3O3/c1-17-13-22-8-5-19(16-28-25(30)20-6-3-18(15-27)4-7-20)14-24(22)29(17)26(31)21-9-11-23(32-2)12-10-21/h3-12,14,17H,13,16H2,1-2H3,(H,28,30)/t17-/m1/s1.

What are the key properties of 4-cyano-N-[[(2R)-1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]benzamide?

4-cyano-N-[[(2R)-1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]benzamide has a molecular weight of 425.49 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-cyano-N-[[(2R)-1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]benzamide is sourced from PubChem (CID 95081648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).