[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]urea

C8H8BrN3O2 — CID 135521536

IUPAC[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]urea
SMILESNC(=O)N/N=C\c1cc(Br)ccc1O
InChIInChI=1S/C8H8BrN3O2/c9-6-1-2-7(13)5(3-6)4-11-12-8(10)14/h1-4,13H,(H3,10,12,14)/b11-4-
InChIKeyCIJGWMHMBHKRBR-WCIBSUBMSA-N
MW258.07 g/mol
LogP1.16
Rot. Bonds2

About [(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]urea

[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]urea (PubChem CID 135521536) has the molecular formula C8H8BrN3O2 and a molecular weight of 258.07 g/mol. Its IUPAC name is [(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]urea.

Molecular Properties

Compound Name[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]urea
PubChem CID135521536
Molecular FormulaC8H8BrN3O2
Molecular Weight258.07 g/mol
Exact Mass256.98
IUPAC Name[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]urea
SMILESNC(=O)N/N=C\c1cc(Br)ccc1O
InChIInChI=1S/C8H8BrN3O2/c9-6-1-2-7(13)5(3-6)4-11-12-8(10)14/h1-4,13H,(H3,10,12,14)/b11-4-
InChIKeyCIJGWMHMBHKRBR-WCIBSUBMSA-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_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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Related Compounds

1,3-bis[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]urea
CID 136870132
[(2,5-dihydroxyphenyl)methylideneamino]urea
CID 5052012
[(4-bromo-2-chlorophenyl)methylideneamino]urea
CID 137318192
4-amino-N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]benzamide
CID 135576312
[(Z)-(2-hydroxyphenyl)methylideneamino]urea
CID 135741564
N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-4-fluorobenzamide
CID 771428
[(Z)-(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]urea
CID 136887163
2-bromo-N-[(5-bromo-2-hydroxyphenyl)methylideneamino]benzamide
CID 4135115
N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-chlorobenzamide
CID 136766998
[2-[(2Z)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium
CID 136700893
2-[4-bromo-2-[(E)-(carbamoylhydrazinylidene)methyl]phenoxy]acetic acid
CID 19617744
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-5-chloro-2-hydroxybenzamide
CID 135615369

Frequently Asked Questions

What is the IUPAC name of [(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]urea?
The IUPAC name of [(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]urea (CID 135521536) is [(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]urea.
What is the SMILES notation for [(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]urea?
The canonical SMILES for [(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]urea is NC(=O)N/N=C\c1cc(Br)ccc1O.
What is the InChIKey of [(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]urea?
The InChIKey is CIJGWMHMBHKRBR-WCIBSUBMSA-N. The full InChI is InChI=1S/C8H8BrN3O2/c9-6-1-2-7(13)5(3-6)4-11-12-8(10)14/h1-4,13H,(H3,10,12,14)/b11-4-.
What are the key properties of [(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]urea?
[(Z)-(5-bromo-2-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 [(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]urea is sourced from PubChem (CID 135521536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).