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

C14H15BrN2O5 — CID 73348808

IUPAC2-(5'-bromo-2'-oxospiro[1,3-dioxepane-2,3'-indole]-1'-yl)-N-hydroxyacetamide
SMILESO=C(CN1C(=O)C2(OCCCCO2)c2cc(Br)ccc21)NO
InChIInChI=1S/C14H15BrN2O5/c15-9-3-4-11-10(7-9)14(21-5-1-2-6-22-14)13(19)17(11)8-12(18)16-20/h3-4,7,20H,1-2,5-6,8H2,(H,16,18)
InChIKeyWHVKYVLUGPYCPC-UHFFFAOYSA-N
MW371.19 g/mol
LogP1.28
Rot. Bonds2

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

2-(5'-bromo-2'-oxospiro[1,3-dioxepane-2,3'-indole]-1'-yl)-N-hydroxyacetamide (PubChem CID 73348808) has the molecular formula C14H15BrN2O5 and a molecular weight of 371.19 g/mol. Its IUPAC name is 2-(5'-bromo-2'-oxospiro[1,3-dioxepane-2,3'-indole]-1'-yl)-N-hydroxyacetamide.

Molecular Properties

Compound Name2-(5'-bromo-2'-oxospiro[1,3-dioxepane-2,3'-indole]-1'-yl)-N-hydroxyacetamide
PubChem CID73348808
Molecular FormulaC14H15BrN2O5
Molecular Weight371.19 g/mol
Exact Mass370.02
IUPAC Name2-(5'-bromo-2'-oxospiro[1,3-dioxepane-2,3'-indole]-1'-yl)-N-hydroxyacetamide
SMILESO=C(CN1C(=O)C2(OCCCCO2)c2cc(Br)ccc21)NO
InChIInChI=1S/C14H15BrN2O5/c15-9-3-4-11-10(7-9)14(21-5-1-2-6-22-14)13(19)17(11)8-12(18)16-20/h3-4,7,20H,1-2,5-6,8H2,(H,16,18)
InChIKeyWHVKYVLUGPYCPC-UHFFFAOYSA-N
XLogP1.28
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.19
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of 2-(5'-bromo-2'-oxospiro[1,3-dioxepane-2,3'-indole]-1'-yl)-N-hydroxyacetamide?
The IUPAC name of 2-(5'-bromo-2'-oxospiro[1,3-dioxepane-2,3'-indole]-1'-yl)-N-hydroxyacetamide (CID 73348808) is 2-(5'-bromo-2'-oxospiro[1,3-dioxepane-2,3'-indole]-1'-yl)-N-hydroxyacetamide.
What is the SMILES notation for 2-(5'-bromo-2'-oxospiro[1,3-dioxepane-2,3'-indole]-1'-yl)-N-hydroxyacetamide?
The canonical SMILES for 2-(5'-bromo-2'-oxospiro[1,3-dioxepane-2,3'-indole]-1'-yl)-N-hydroxyacetamide is O=C(CN1C(=O)C2(OCCCCO2)c2cc(Br)ccc21)NO.
What is the InChIKey of 2-(5'-bromo-2'-oxospiro[1,3-dioxepane-2,3'-indole]-1'-yl)-N-hydroxyacetamide?
The InChIKey is WHVKYVLUGPYCPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O5/c15-9-3-4-11-10(7-9)14(21-5-1-2-6-22-14)13(19)17(11)8-12(18)16-20/h3-4,7,20H,1-2,5-6,8H2,(H,16,18).
What are the key properties of 2-(5'-bromo-2'-oxospiro[1,3-dioxepane-2,3'-indole]-1'-yl)-N-hydroxyacetamide?
2-(5'-bromo-2'-oxospiro[1,3-dioxepane-2,3'-indole]-1'-yl)-N-hydroxyacetamide has a molecular weight of 371.19 g/mol, XLogP of 1.28, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5'-bromo-2'-oxospiro[1,3-dioxepane-2,3'-indole]-1'-yl)-N-hydroxyacetamide is sourced from PubChem (CID 73348808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).