2-[[(2-hydroxybenzoyl)-[(1R)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]amino]methyl]benzamide

C25H21F3N2O3 — CID 118935295

About 2-[[(2-hydroxybenzoyl)-[(1R)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]amino]methyl]benzamide

2-[[(2-hydroxybenzoyl)-[(1R)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]amino]methyl]benzamide (PubChem CID 118935295) has the molecular formula C25H21F3N2O3 and a molecular weight of 454.45 g/mol. Its IUPAC name is 2-[[(2-hydroxybenzoyl)-[(1R)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]amino]methyl]benzamide.

Molecular Properties

• Compound Name: 2-[[(2-hydroxybenzoyl)-[(1R)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]amino]methyl]benzamide
• PubChem CID: 118935295
• Molecular Formula: C25H21F3N2O3
• Molecular Weight: 454.45 g/mol
• Exact Mass: 454.15
• IUPAC Name: 2-[[(2-hydroxybenzoyl)-[(1R)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]amino]methyl]benzamide
• SMILES: NC(=O)c1ccccc1CN(C(=O)c1ccccc1O)[C@@H]1CCc2ccc(C(F)(F)F)cc21
• InChI: InChI=1S/C25H21F3N2O3/c26-25(27,28)17-11-9-15-10-12-21(20(15)13-17)30(24(33)19-7-3-4-8-22(19)31)14-16-5-1-2-6-18(16)23(29)32/h1-9,11,13,21,31H,10,12,14H2,(H2,29,32)/t21-/m1/s1
• InChIKey: YHQDCFHHDMSFRJ-OAQYLSRUSA-N
• XLogP: 4.84
• TPSA: 83.63 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	454.45
LogP ≤ 5	4.84
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-hydroxybenzoyl)-[(1R)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]amino]methyl]benzamide?

The IUPAC name of 2-[[(2-hydroxybenzoyl)-[(1R)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]amino]methyl]benzamide (CID 118935295) is 2-[[(2-hydroxybenzoyl)-[(1R)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]amino]methyl]benzamide.

What is the SMILES notation for 2-[[(2-hydroxybenzoyl)-[(1R)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]amino]methyl]benzamide?

The canonical SMILES for 2-[[(2-hydroxybenzoyl)-[(1R)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]amino]methyl]benzamide is NC(=O)c1ccccc1CN(C(=O)c1ccccc1O)[C@@H]1CCc2ccc(C(F)(F)F)cc21.

What is the InChIKey of 2-[[(2-hydroxybenzoyl)-[(1R)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]amino]methyl]benzamide?

The InChIKey is YHQDCFHHDMSFRJ-OAQYLSRUSA-N. The full InChI is InChI=1S/C25H21F3N2O3/c26-25(27,28)17-11-9-15-10-12-21(20(15)13-17)30(24(33)19-7-3-4-8-22(19)31)14-16-5-1-2-6-18(16)23(29)32/h1-9,11,13,21,31H,10,12,14H2,(H2,29,32)/t21-/m1/s1.

What are the key properties of 2-[[(2-hydroxybenzoyl)-[(1R)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]amino]methyl]benzamide?

2-[[(2-hydroxybenzoyl)-[(1R)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]amino]methyl]benzamide has a molecular weight of 454.45 g/mol, XLogP of 4.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[(2-hydroxybenzoyl)-[(1R)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]amino]methyl]benzamide is sourced from PubChem (CID 118935295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).