N-bromo-N-(dimethylcarbamoyl)-2-hydroxyacetamide

C5H9BrN2O3 — CID 150966464

IUPACN-bromo-N-(dimethylcarbamoyl)-2-hydroxyacetamide
SMILESCN(C)C(=O)N(Br)C(=O)CO
InChIInChI=1S/C5H9BrN2O3/c1-7(2)5(11)8(6)4(10)3-9/h9H,3H2,1-2H3
InChIKeyLNEMJHJHLFCBJP-UHFFFAOYSA-N
MW225.04 g/mol
LogP-0.20
Rot. Bonds1

About N-bromo-N-(dimethylcarbamoyl)-2-hydroxyacetamide

N-bromo-N-(dimethylcarbamoyl)-2-hydroxyacetamide (PubChem CID 150966464) has the molecular formula C5H9BrN2O3 and a molecular weight of 225.04 g/mol. Its IUPAC name is N-bromo-N-(dimethylcarbamoyl)-2-hydroxyacetamide.

Molecular Properties

Compound NameN-bromo-N-(dimethylcarbamoyl)-2-hydroxyacetamide
PubChem CID150966464
Molecular FormulaC5H9BrN2O3
Molecular Weight225.04 g/mol
Exact Mass223.98
IUPAC NameN-bromo-N-(dimethylcarbamoyl)-2-hydroxyacetamide
SMILESCN(C)C(=O)N(Br)C(=O)CO
InChIInChI=1S/C5H9BrN2O3/c1-7(2)5(11)8(6)4(10)3-9/h9H,3H2,1-2H3
InChIKeyLNEMJHJHLFCBJP-UHFFFAOYSA-N
XLogP-0.20
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.04
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-bromo-N-(dimethylcarbamoyl)-2-hydroxyacetamide?
The IUPAC name of N-bromo-N-(dimethylcarbamoyl)-2-hydroxyacetamide (CID 150966464) is N-bromo-N-(dimethylcarbamoyl)-2-hydroxyacetamide.
What is the SMILES notation for N-bromo-N-(dimethylcarbamoyl)-2-hydroxyacetamide?
The canonical SMILES for N-bromo-N-(dimethylcarbamoyl)-2-hydroxyacetamide is CN(C)C(=O)N(Br)C(=O)CO.
What is the InChIKey of N-bromo-N-(dimethylcarbamoyl)-2-hydroxyacetamide?
The InChIKey is LNEMJHJHLFCBJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9BrN2O3/c1-7(2)5(11)8(6)4(10)3-9/h9H,3H2,1-2H3.
What are the key properties of N-bromo-N-(dimethylcarbamoyl)-2-hydroxyacetamide?
N-bromo-N-(dimethylcarbamoyl)-2-hydroxyacetamide has a molecular weight of 225.04 g/mol, XLogP of -0.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-bromo-N-(dimethylcarbamoyl)-2-hydroxyacetamide is sourced from PubChem (CID 150966464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).