4-[[2-(5'-bromo-2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)acetyl]amino]-N-hydroxybenzamide

C19H16BrN3O6 — CID 90467937

About 4-[[2-(5'-bromo-2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)acetyl]amino]-N-hydroxybenzamide

4-[[2-(5'-bromo-2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)acetyl]amino]-N-hydroxybenzamide (PubChem CID 90467937) has the molecular formula C19H16BrN3O6 and a molecular weight of 462.26 g/mol. Its IUPAC name is 4-[[2-(5'-bromo-2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)acetyl]amino]-N-hydroxybenzamide.

Molecular Properties

• Compound Name: 4-[[2-(5'-bromo-2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)acetyl]amino]-N-hydroxybenzamide
• PubChem CID: 90467937
• Molecular Formula: C19H16BrN3O6
• Molecular Weight: 462.26 g/mol
• Exact Mass: 461.02
• IUPAC Name: 4-[[2-(5'-bromo-2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)acetyl]amino]-N-hydroxybenzamide
• SMILES: O=C(CN1C(=O)C2(OCCO2)c2cc(Br)ccc21)Nc1ccc(C(=O)NO)cc1
• InChI: InChI=1S/C19H16BrN3O6/c20-12-3-6-15-14(9-12)19(28-7-8-29-19)18(26)23(15)10-16(24)21-13-4-1-11(2-5-13)17(25)22-27/h1-6,9,27H,7-8,10H2,(H,21,24)(H,22,25)
• InChIKey: RWYMZODPVPLVHA-UHFFFAOYSA-N
• XLogP: 1.75
• TPSA: 117.20 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	462.26
LogP ≤ 5	1.75
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(5'-bromo-2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)acetyl]amino]-N-hydroxybenzamide?

The IUPAC name of 4-[[2-(5'-bromo-2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)acetyl]amino]-N-hydroxybenzamide (CID 90467937) is 4-[[2-(5'-bromo-2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)acetyl]amino]-N-hydroxybenzamide.

What is the SMILES notation for 4-[[2-(5'-bromo-2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)acetyl]amino]-N-hydroxybenzamide?

The canonical SMILES for 4-[[2-(5'-bromo-2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)acetyl]amino]-N-hydroxybenzamide is O=C(CN1C(=O)C2(OCCO2)c2cc(Br)ccc21)Nc1ccc(C(=O)NO)cc1.

What is the InChIKey of 4-[[2-(5'-bromo-2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)acetyl]amino]-N-hydroxybenzamide?

The InChIKey is RWYMZODPVPLVHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrN3O6/c20-12-3-6-15-14(9-12)19(28-7-8-29-19)18(26)23(15)10-16(24)21-13-4-1-11(2-5-13)17(25)22-27/h1-6,9,27H,7-8,10H2,(H,21,24)(H,22,25).

What are the key properties of 4-[[2-(5'-bromo-2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)acetyl]amino]-N-hydroxybenzamide?

4-[[2-(5'-bromo-2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)acetyl]amino]-N-hydroxybenzamide has a molecular weight of 462.26 g/mol, XLogP of 1.75, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[2-(5'-bromo-2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)acetyl]amino]-N-hydroxybenzamide is sourced from PubChem (CID 90467937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).