[(3-bromo-4-hydroxyphenyl)methylideneamino]urea

C8H8BrN3O2 — CID 2690845

IUPAC[(3-bromo-4-hydroxyphenyl)methylideneamino]urea
SMILESNC(=O)NN=Cc1ccc(O)c(Br)c1
InChIInChI=1S/C8H8BrN3O2/c9-6-3-5(1-2-7(6)13)4-11-12-8(10)14/h1-4,13H,(H3,10,12,14)
InChIKeyZLYVKRCCZGIKQI-UHFFFAOYSA-N
MW258.07 g/mol
LogP1.16
Rot. Bonds2

About [(3-bromo-4-hydroxyphenyl)methylideneamino]urea

[(3-bromo-4-hydroxyphenyl)methylideneamino]urea (PubChem CID 2690845) has the molecular formula C8H8BrN3O2 and a molecular weight of 258.07 g/mol. Its IUPAC name is [(3-bromo-4-hydroxyphenyl)methylideneamino]urea.

Molecular Properties

Compound Name[(3-bromo-4-hydroxyphenyl)methylideneamino]urea
PubChem CID2690845
Molecular FormulaC8H8BrN3O2
Molecular Weight258.07 g/mol
Exact Mass256.98
IUPAC Name[(3-bromo-4-hydroxyphenyl)methylideneamino]urea
SMILESNC(=O)NN=Cc1ccc(O)c(Br)c1
InChIInChI=1S/C8H8BrN3O2/c9-6-3-5(1-2-7(6)13)4-11-12-8(10)14/h1-4,13H,(H3,10,12,14)
InChIKeyZLYVKRCCZGIKQI-UHFFFAOYSA-N
XLogP1.16
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.07
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [(3-bromo-4-hydroxyphenyl)methylideneamino]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(3-bromo-4-hydroxyphenyl)methylideneamino]urea?
The IUPAC name of [(3-bromo-4-hydroxyphenyl)methylideneamino]urea (CID 2690845) is [(3-bromo-4-hydroxyphenyl)methylideneamino]urea.
What is the SMILES notation for [(3-bromo-4-hydroxyphenyl)methylideneamino]urea?
The canonical SMILES for [(3-bromo-4-hydroxyphenyl)methylideneamino]urea is NC(=O)NN=Cc1ccc(O)c(Br)c1.
What is the InChIKey of [(3-bromo-4-hydroxyphenyl)methylideneamino]urea?
The InChIKey is ZLYVKRCCZGIKQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrN3O2/c9-6-3-5(1-2-7(6)13)4-11-12-8(10)14/h1-4,13H,(H3,10,12,14).
What are the key properties of [(3-bromo-4-hydroxyphenyl)methylideneamino]urea?
[(3-bromo-4-hydroxyphenyl)methylideneamino]urea has a molecular weight of 258.07 g/mol, XLogP of 1.16, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-bromo-4-hydroxyphenyl)methylideneamino]urea is sourced from PubChem (CID 2690845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).