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

C14H14BrN3O6 — CID 71602399

IUPAC2-[[2-(5'-bromo-2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)acetyl]amino]-N-hydroxyacetamide
SMILESO=C(CNC(=O)CN1C(=O)C2(OCCO2)c2cc(Br)ccc21)NO
InChIInChI=1S/C14H14BrN3O6/c15-8-1-2-10-9(5-8)14(23-3-4-24-14)13(21)18(10)7-12(20)16-6-11(19)17-22/h1-2,5,22H,3-4,6-7H2,(H,16,20)(H,17,19)
InChIKeyQZYGMPQOCGTULX-UHFFFAOYSA-N
MW400.19 g/mol
LogP-0.38
Rot. Bonds4

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

2-[[2-(5'-bromo-2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)acetyl]amino]-N-hydroxyacetamide (PubChem CID 71602399) has the molecular formula C14H14BrN3O6 and a molecular weight of 400.19 g/mol. Its IUPAC name is 2-[[2-(5'-bromo-2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)acetyl]amino]-N-hydroxyacetamide.

Molecular Properties

Compound Name2-[[2-(5'-bromo-2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)acetyl]amino]-N-hydroxyacetamide
PubChem CID71602399
Molecular FormulaC14H14BrN3O6
Molecular Weight400.19 g/mol
Exact Mass399.01
IUPAC Name2-[[2-(5'-bromo-2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)acetyl]amino]-N-hydroxyacetamide
SMILESO=C(CNC(=O)CN1C(=O)C2(OCCO2)c2cc(Br)ccc21)NO
InChIInChI=1S/C14H14BrN3O6/c15-8-1-2-10-9(5-8)14(23-3-4-24-14)13(21)18(10)7-12(20)16-6-11(19)17-22/h1-2,5,22H,3-4,6-7H2,(H,16,20)(H,17,19)
InChIKeyQZYGMPQOCGTULX-UHFFFAOYSA-N
XLogP-0.38
TPSA117.20 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.19
LogP ≤ 5-0.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5'-Bromo-1'-(2-methylprop-2-enyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 691240
5'-Bromo-1'-(2-chloroethyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 818012
Ethyl 2-(5'-bromo-2'-oxospiro[1,3-dioxane-2,3'-indole]-1'-yl)acetate
CID 1110230
2-(5'-bromo-2'-oxo-2',3'-dihydrospiro[1,3-dioxolane-2,3'-(1'H)-indol]-1'-yl)-N-hydroxyacetamide
CID 4330464
5'-Bromo-1'-(3,3-dimethyl-2-oxobutyl)spiro(1,3-dioxolane-2,3'-(3H)indol)-2'(1'H)-one
CID 4443473
11-Bromo-7-(methylethyl)spiro[1,3-dioxane-2,3'-indoline]-8-one
CID 9177572
4-[4-(5'-bromo-2'-oxospiro[1,3-dioxane-2,3'-indole]-1'-yl)butanoylamino]-N-hydroxybenzamide
CID 90465904
4-[[2-(5'-bromo-2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)acetyl]amino]-N-hydroxybutanamide
CID 90467932
6-[[2-(5'-bromo-2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)acetyl]amino]-N-hydroxyhexanamide
CID 90467933
4-[[2-(5'-bromo-2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)acetyl]amino]-N-hydroxybenzamide
CID 90467937
4-[[2-(5'-bromo-2'-oxospiro[1,3-dioxane-2,3'-indole]-1'-yl)acetyl]amino]-N-hydroxybenzamide
CID 122182039
4-[3-(5'-bromo-2'-oxospiro[1,3-dioxane-2,3'-indole]-1'-yl)propanoylamino]-N-hydroxybenzamide
CID 122182040

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(5'-bromo-2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)acetyl]amino]-N-hydroxyacetamide?
The IUPAC name of 2-[[2-(5'-bromo-2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)acetyl]amino]-N-hydroxyacetamide (CID 71602399) is 2-[[2-(5'-bromo-2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)acetyl]amino]-N-hydroxyacetamide.
What is the SMILES notation for 2-[[2-(5'-bromo-2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)acetyl]amino]-N-hydroxyacetamide?
The canonical SMILES for 2-[[2-(5'-bromo-2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)acetyl]amino]-N-hydroxyacetamide is O=C(CNC(=O)CN1C(=O)C2(OCCO2)c2cc(Br)ccc21)NO.
What is the InChIKey of 2-[[2-(5'-bromo-2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)acetyl]amino]-N-hydroxyacetamide?
The InChIKey is QZYGMPQOCGTULX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O6/c15-8-1-2-10-9(5-8)14(23-3-4-24-14)13(21)18(10)7-12(20)16-6-11(19)17-22/h1-2,5,22H,3-4,6-7H2,(H,16,20)(H,17,19).
What are the key properties of 2-[[2-(5'-bromo-2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)acetyl]amino]-N-hydroxyacetamide?
2-[[2-(5'-bromo-2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)acetyl]amino]-N-hydroxyacetamide has a molecular weight of 400.19 g/mol, XLogP of -0.38, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(5'-bromo-2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)acetyl]amino]-N-hydroxyacetamide is sourced from PubChem (CID 71602399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).