N-[(E)-(3-bromophenyl)methylideneamino]-2-hydroxyacetamide

C9H9BrN2O2 — CID 5334797

IUPACN-[(E)-(3-bromophenyl)methylideneamino]-2-hydroxyacetamide
SMILESO=C(CO)N/N=C/c1cccc(Br)c1
InChIInChI=1S/C9H9BrN2O2/c10-8-3-1-2-7(4-8)5-11-12-9(14)6-13/h1-5,13H,6H2,(H,12,14)/b11-5+
InChIKeyUAVSSEFGJAGEDI-VZUCSPMQSA-N
MW257.09 g/mol
LogP0.89
Rot. Bonds3

About N-[(E)-(3-bromophenyl)methylideneamino]-2-hydroxyacetamide

N-[(E)-(3-bromophenyl)methylideneamino]-2-hydroxyacetamide (PubChem CID 5334797) has the molecular formula C9H9BrN2O2 and a molecular weight of 257.09 g/mol. Its IUPAC name is N-[(E)-(3-bromophenyl)methylideneamino]-2-hydroxyacetamide.

Molecular Properties

Compound NameN-[(E)-(3-bromophenyl)methylideneamino]-2-hydroxyacetamide
PubChem CID5334797
Molecular FormulaC9H9BrN2O2
Molecular Weight257.09 g/mol
Exact Mass255.98
IUPAC NameN-[(E)-(3-bromophenyl)methylideneamino]-2-hydroxyacetamide
SMILESO=C(CO)N/N=C/c1cccc(Br)c1
InChIInChI=1S/C9H9BrN2O2/c10-8-3-1-2-7(4-8)5-11-12-9(14)6-13/h1-5,13H,6H2,(H,12,14)/b11-5+
InChIKeyUAVSSEFGJAGEDI-VZUCSPMQSA-N
XLogP0.89
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.09
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N,N'-bis[(E)-(3-bromophenyl)methylideneamino]propanediamide
CID 6894427
N,N'-bis[(3-bromophenyl)methylideneamino]butanediamide
CID 3105341
N'-[(Z)-(3-bromophenyl)methylideneamino]-N-methylhexanediamide
CID 6056765
N-(2-bromophenyl)-N'-[(3-bromophenyl)methylideneamino]propanediamide
CID 3981811
N-(3-bromophenyl)-N'-[(3-bromophenyl)methylideneamino]pentanediamide
CID 5190370
N-[(E)-(3-bromophenyl)methylideneamino]-2-naphthalen-1-ylacetamide
CID 5340905
N-(4-bromophenyl)-N'-[(3-bromophenyl)methylideneamino]pentanediamide
CID 3309174
N-[(3-bromophenyl)methylideneamino]-2-phenoxyacetamide
CID 4084520
2-(azepan-1-yl)-N-[(3-bromophenyl)methylideneamino]acetamide
CID 791925
N-[(Z)-(3-bromophenyl)methylideneamino]-2-(2,6-dimethylanilino)acetamide
CID 6078696
N-[(Z)-(3-bromophenyl)methylideneamino]-3-phenylsulfanylpropanamide
CID 6005980
4-anilino-N-[(E)-(3-bromophenyl)methylideneamino]butanamide
CID 5331391

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-bromophenyl)methylideneamino]-2-hydroxyacetamide?
The IUPAC name of N-[(E)-(3-bromophenyl)methylideneamino]-2-hydroxyacetamide (CID 5334797) is N-[(E)-(3-bromophenyl)methylideneamino]-2-hydroxyacetamide.
What is the SMILES notation for N-[(E)-(3-bromophenyl)methylideneamino]-2-hydroxyacetamide?
The canonical SMILES for N-[(E)-(3-bromophenyl)methylideneamino]-2-hydroxyacetamide is O=C(CO)N/N=C/c1cccc(Br)c1.
What is the InChIKey of N-[(E)-(3-bromophenyl)methylideneamino]-2-hydroxyacetamide?
The InChIKey is UAVSSEFGJAGEDI-VZUCSPMQSA-N. The full InChI is InChI=1S/C9H9BrN2O2/c10-8-3-1-2-7(4-8)5-11-12-9(14)6-13/h1-5,13H,6H2,(H,12,14)/b11-5+.
What are the key properties of N-[(E)-(3-bromophenyl)methylideneamino]-2-hydroxyacetamide?
N-[(E)-(3-bromophenyl)methylideneamino]-2-hydroxyacetamide has a molecular weight of 257.09 g/mol, XLogP of 0.89, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-bromophenyl)methylideneamino]-2-hydroxyacetamide is sourced from PubChem (CID 5334797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).