[(Z)-(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]urea

C8H7BrIN3O2 — CID 136887163

IUPAC[(Z)-(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]urea
SMILESNC(=O)N/N=C\c1cc(Br)cc(I)c1O
InChIInChI=1S/C8H7BrIN3O2/c9-5-1-4(3-12-13-8(11)15)7(14)6(10)2-5/h1-3,14H,(H3,11,13,15)/b12-3-
InChIKeyLIGPDXYYYSLLKO-BASWHVEKSA-N
MW383.97 g/mol
LogP1.76
Rot. Bonds2

About [(Z)-(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]urea

[(Z)-(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]urea (PubChem CID 136887163) has the molecular formula C8H7BrIN3O2 and a molecular weight of 383.97 g/mol. Its IUPAC name is [(Z)-(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]urea.

Molecular Properties

Compound Name[(Z)-(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]urea
PubChem CID136887163
Molecular FormulaC8H7BrIN3O2
Molecular Weight383.97 g/mol
Exact Mass382.88
IUPAC Name[(Z)-(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]urea
SMILESNC(=O)N/N=C\c1cc(Br)cc(I)c1O
InChIInChI=1S/C8H7BrIN3O2/c9-5-1-4(3-12-13-8(11)15)7(14)6(10)2-5/h1-3,14H,(H3,11,13,15)/b12-3-
InChIKeyLIGPDXYYYSLLKO-BASWHVEKSA-N
XLogP1.76
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.97
LogP ≤ 51.76
H-Bond Donors ≤ 53
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': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[(Z)-(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]-3-[(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]urea
CID 137138183
1,3-bis[(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]urea
CID 3450915
[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]urea
CID 135521536
[(5-bromo-3-iodo-2-prop-2-enoxyphenyl)methylideneamino]urea
CID 168533303
4-amino-N-[(Z)-(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]-1,2,5-oxadiazole-3-carboxamide
CID 137089066
[[2-hydroxy-3-iodo-5-(trifluoromethoxy)phenyl]methylideneamino]urea
CID 168533600
N-[(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]-2-hydroxy-2-phenylacetamide
CID 2853257
N-[(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]-3-fluorobenzamide
CID 1378674
N-[(E)-(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]furan-2-carboxamide
CID 137173095
N-[(E)-(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]-2-hydroxy-2-phenylacetamide
CID 135479570
4-bromo-2-(hydroxyiminomethyl)-6-iodophenol
CID 1494403
5-bromo-N-[(Z)-(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]-1-benzofuran-2-carboxamide
CID 137173741

Frequently Asked Questions

What is the IUPAC name of [(Z)-(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]urea?
The IUPAC name of [(Z)-(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]urea (CID 136887163) is [(Z)-(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]urea.
What is the SMILES notation for [(Z)-(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]urea?
The canonical SMILES for [(Z)-(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]urea is NC(=O)N/N=C\c1cc(Br)cc(I)c1O.
What is the InChIKey of [(Z)-(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]urea?
The InChIKey is LIGPDXYYYSLLKO-BASWHVEKSA-N. The full InChI is InChI=1S/C8H7BrIN3O2/c9-5-1-4(3-12-13-8(11)15)7(14)6(10)2-5/h1-3,14H,(H3,11,13,15)/b12-3-.
What are the key properties of [(Z)-(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]urea?
[(Z)-(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]urea has a molecular weight of 383.97 g/mol, XLogP of 1.76, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]urea is sourced from PubChem (CID 136887163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).