(2R)-N-(1-amino-3H-isoindol-5-yl)-2-[(2R)-4-[2-(difluoromethoxy)-5-fluorophenyl]-3-oxomorpholin-2-yl]-2-hydroxyacetamide;hydrochloride

C21H20ClF3N4O5 — CID 67032624

About (2R)-N-(1-amino-3H-isoindol-5-yl)-2-[(2R)-4-[2-(difluoromethoxy)-5-fluorophenyl]-3-oxomorpholin-2-yl]-2-hydroxyacetamide;hydrochloride

(2R)-N-(1-amino-3H-isoindol-5-yl)-2-[(2R)-4-[2-(difluoromethoxy)-5-fluorophenyl]-3-oxomorpholin-2-yl]-2-hydroxyacetamide;hydrochloride (PubChem CID 67032624) has the molecular formula C21H20ClF3N4O5 and a molecular weight of 500.86 g/mol. Its IUPAC name is (2R)-N-(1-amino-3H-isoindol-5-yl)-2-[(2R)-4-[2-(difluoromethoxy)-5-fluorophenyl]-3-oxomorpholin-2-yl]-2-hydroxyacetamide;hydrochloride.

Molecular Properties

• Compound Name: (2R)-N-(1-amino-3H-isoindol-5-yl)-2-[(2R)-4-[2-(difluoromethoxy)-5-fluorophenyl]-3-oxomorpholin-2-yl]-2-hydroxyacetamide;hydrochloride
• PubChem CID: 67032624
• Molecular Formula: C21H20ClF3N4O5
• Molecular Weight: 500.86 g/mol
• Exact Mass: 500.11
• IUPAC Name: (2R)-N-(1-amino-3H-isoindol-5-yl)-2-[(2R)-4-[2-(difluoromethoxy)-5-fluorophenyl]-3-oxomorpholin-2-yl]-2-hydroxyacetamide;hydrochloride
• SMILES: Cl.NC1=NCc2cc(NC(=O)[C@H](O)[C@H]3OCCN(c4cc(F)ccc4OC(F)F)C3=O)ccc21
• InChI: InChI=1S/C21H19F3N4O5.ClH/c22-11-1-4-15(33-21(23)24)14(8-11)28-5-6-32-17(20(28)31)16(29)19(30)27-12-2-3-13-10(7-12)9-26-18(13)25;/h1-4,7-8,16-17,21,29H,5-6,9H2,(H2,25,26)(H,27,30);1H/t16-,17-;/m1./s1
• InChIKey: VSHRHSSFTKXUHL-GBNZRNLASA-N
• XLogP: 1.80
• TPSA: 126.48 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	500.86
LogP ≤ 5	1.80
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(1-amino-3H-isoindol-5-yl)-2-[(2R)-4-[2-(difluoromethoxy)-5-fluorophenyl]-3-oxomorpholin-2-yl]-2-hydroxyacetamide;hydrochloride?

The IUPAC name of (2R)-N-(1-amino-3H-isoindol-5-yl)-2-[(2R)-4-[2-(difluoromethoxy)-5-fluorophenyl]-3-oxomorpholin-2-yl]-2-hydroxyacetamide;hydrochloride (CID 67032624) is (2R)-N-(1-amino-3H-isoindol-5-yl)-2-[(2R)-4-[2-(difluoromethoxy)-5-fluorophenyl]-3-oxomorpholin-2-yl]-2-hydroxyacetamide;hydrochloride.

What is the SMILES notation for (2R)-N-(1-amino-3H-isoindol-5-yl)-2-[(2R)-4-[2-(difluoromethoxy)-5-fluorophenyl]-3-oxomorpholin-2-yl]-2-hydroxyacetamide;hydrochloride?

The canonical SMILES for (2R)-N-(1-amino-3H-isoindol-5-yl)-2-[(2R)-4-[2-(difluoromethoxy)-5-fluorophenyl]-3-oxomorpholin-2-yl]-2-hydroxyacetamide;hydrochloride is Cl.NC1=NCc2cc(NC(=O)[C@H](O)[C@H]3OCCN(c4cc(F)ccc4OC(F)F)C3=O)ccc21.

What is the InChIKey of (2R)-N-(1-amino-3H-isoindol-5-yl)-2-[(2R)-4-[2-(difluoromethoxy)-5-fluorophenyl]-3-oxomorpholin-2-yl]-2-hydroxyacetamide;hydrochloride?

The InChIKey is VSHRHSSFTKXUHL-GBNZRNLASA-N. The full InChI is InChI=1S/C21H19F3N4O5.ClH/c22-11-1-4-15(33-21(23)24)14(8-11)28-5-6-32-17(20(28)31)16(29)19(30)27-12-2-3-13-10(7-12)9-26-18(13)25;/h1-4,7-8,16-17,21,29H,5-6,9H2,(H2,25,26)(H,27,30);1H/t16-,17-;/m1./s1.

What are the key properties of (2R)-N-(1-amino-3H-isoindol-5-yl)-2-[(2R)-4-[2-(difluoromethoxy)-5-fluorophenyl]-3-oxomorpholin-2-yl]-2-hydroxyacetamide;hydrochloride?

(2R)-N-(1-amino-3H-isoindol-5-yl)-2-[(2R)-4-[2-(difluoromethoxy)-5-fluorophenyl]-3-oxomorpholin-2-yl]-2-hydroxyacetamide;hydrochloride has a molecular weight of 500.86 g/mol, XLogP of 1.80, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-(1-amino-3H-isoindol-5-yl)-2-[(2R)-4-[2-(difluoromethoxy)-5-fluorophenyl]-3-oxomorpholin-2-yl]-2-hydroxyacetamide;hydrochloride is sourced from PubChem (CID 67032624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).