N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]acetamide

C9H9BrN2O2 — CID 135627846

IUPACN-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]acetamide
SMILESCC(=O)N/N=C/c1cc(Br)ccc1O
InChIInChI=1S/C9H9BrN2O2/c1-6(13)12-11-5-7-4-8(10)2-3-9(7)14/h2-5,14H,1H3,(H,12,13)/b11-5+
InChIKeyYTJMMCWCOHWNLC-VZUCSPMQSA-N
MW257.09 g/mol
LogP1.62
Rot. Bonds2

About N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]acetamide

N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]acetamide (PubChem CID 135627846) has the molecular formula C9H9BrN2O2 and a molecular weight of 257.09 g/mol. Its IUPAC name is N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound NameN-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]acetamide
PubChem CID135627846
Molecular FormulaC9H9BrN2O2
Molecular Weight257.09 g/mol
Exact Mass255.98
IUPAC NameN-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]acetamide
SMILESCC(=O)N/N=C/c1cc(Br)ccc1O
InChIInChI=1S/C9H9BrN2O2/c1-6(13)12-11-5-7-4-8(10)2-3-9(7)14/h2-5,14H,1H3,(H,12,13)/b11-5+
InChIKeyYTJMMCWCOHWNLC-VZUCSPMQSA-N
XLogP1.62
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.09
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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 N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]acetamide?
The IUPAC name of N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]acetamide (CID 135627846) is N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]acetamide?
The canonical SMILES for N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]acetamide is CC(=O)N/N=C/c1cc(Br)ccc1O.
What is the InChIKey of N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]acetamide?
The InChIKey is YTJMMCWCOHWNLC-VZUCSPMQSA-N. The full InChI is InChI=1S/C9H9BrN2O2/c1-6(13)12-11-5-7-4-8(10)2-3-9(7)14/h2-5,14H,1H3,(H,12,13)/b11-5+.
What are the key properties of N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]acetamide?
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]acetamide has a molecular weight of 257.09 g/mol, XLogP of 1.62, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 135627846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).