N-[amino-(5-bromo-2-hydroxyphenyl)methylidene]acetamide

C9H9BrN2O2 — CID 143984531

IUPACN-[amino-(5-bromo-2-hydroxyphenyl)methylidene]acetamide
SMILESCC(=O)/N=C(\N)c1cc(Br)ccc1O
InChIInChI=1S/C9H9BrN2O2/c1-5(13)12-9(11)7-4-6(10)2-3-8(7)14/h2-4,14H,1H3,(H2,11,12,13)
InChIKeyKSNUKWHIPWNGIP-UHFFFAOYSA-N
MW257.09 g/mol
LogP1.41
Rot. Bonds1

About N-[amino-(5-bromo-2-hydroxyphenyl)methylidene]acetamide

N-[amino-(5-bromo-2-hydroxyphenyl)methylidene]acetamide (PubChem CID 143984531) has the molecular formula C9H9BrN2O2 and a molecular weight of 257.09 g/mol. Its IUPAC name is N-[amino-(5-bromo-2-hydroxyphenyl)methylidene]acetamide.

Molecular Properties

Compound NameN-[amino-(5-bromo-2-hydroxyphenyl)methylidene]acetamide
PubChem CID143984531
Molecular FormulaC9H9BrN2O2
Molecular Weight257.09 g/mol
Exact Mass255.98
IUPAC NameN-[amino-(5-bromo-2-hydroxyphenyl)methylidene]acetamide
SMILESCC(=O)/N=C(\N)c1cc(Br)ccc1O
InChIInChI=1S/C9H9BrN2O2/c1-5(13)12-9(11)7-4-6(10)2-3-8(7)14/h2-4,14H,1H3,(H2,11,12,13)
InChIKeyKSNUKWHIPWNGIP-UHFFFAOYSA-N
XLogP1.41
TPSA75.68 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.09
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[amino-(5-bromo-2-hydroxyphenyl)methylidene]acetamide?
The IUPAC name of N-[amino-(5-bromo-2-hydroxyphenyl)methylidene]acetamide (CID 143984531) is N-[amino-(5-bromo-2-hydroxyphenyl)methylidene]acetamide.
What is the SMILES notation for N-[amino-(5-bromo-2-hydroxyphenyl)methylidene]acetamide?
The canonical SMILES for N-[amino-(5-bromo-2-hydroxyphenyl)methylidene]acetamide is CC(=O)/N=C(\N)c1cc(Br)ccc1O.
What is the InChIKey of N-[amino-(5-bromo-2-hydroxyphenyl)methylidene]acetamide?
The InChIKey is KSNUKWHIPWNGIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN2O2/c1-5(13)12-9(11)7-4-6(10)2-3-8(7)14/h2-4,14H,1H3,(H2,11,12,13).
What are the key properties of N-[amino-(5-bromo-2-hydroxyphenyl)methylidene]acetamide?
N-[amino-(5-bromo-2-hydroxyphenyl)methylidene]acetamide has a molecular weight of 257.09 g/mol, XLogP of 1.41, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[amino-(5-bromo-2-hydroxyphenyl)methylidene]acetamide is sourced from PubChem (CID 143984531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).