1-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-3-hydroxyurea

C8H7Br2N3O3 — CID 135507635

IUPAC1-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-3-hydroxyurea
SMILESO=C(NO)N/N=C/c1cc(Br)cc(Br)c1O
InChIInChI=1S/C8H7Br2N3O3/c9-5-1-4(7(14)6(10)2-5)3-11-12-8(15)13-16/h1-3,14,16H,(H2,12,13,15)/b11-3+
InChIKeyYPCPTPHCVFVQLH-QDEBKDIKSA-N
MW352.97 g/mol
LogP1.94
Rot. Bonds2

About 1-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-3-hydroxyurea

1-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-3-hydroxyurea (PubChem CID 135507635) has the molecular formula C8H7Br2N3O3 and a molecular weight of 352.97 g/mol. Its IUPAC name is 1-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-3-hydroxyurea.

Molecular Properties

Compound Name1-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-3-hydroxyurea
PubChem CID135507635
Molecular FormulaC8H7Br2N3O3
Molecular Weight352.97 g/mol
Exact Mass350.89
IUPAC Name1-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-3-hydroxyurea
SMILESO=C(NO)N/N=C/c1cc(Br)cc(Br)c1O
InChIInChI=1S/C8H7Br2N3O3/c9-5-1-4(7(14)6(10)2-5)3-11-12-8(15)13-16/h1-3,14,16H,(H2,12,13,15)/b11-3+
InChIKeyYPCPTPHCVFVQLH-QDEBKDIKSA-N
XLogP1.94
TPSA93.95 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.97
LogP ≤ 51.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-3-hydroxyurea with MolForge

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

Launch Full Analysis

Related Compounds

N'-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylidene]-2-ethyl-2-hydroxybutanehydrazide
CID 135479716
5-Bromo-2-hydroxybenzaldehyde thiosemicarbazone
CID 135409268
2-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylidene]-N-methyl-1-hydrazinecarbothioamide
CID 135517193
N'-(5-Bromo-2-hydroxybenzylidene)acetohydrazide
CID 135627846
methyl 2-[(E)-(5-bromo-2-hydroxyphenyl)methylidene]-1-hydrazinecarboxylate
CID 135472862
N-[(1E)-2-(5-bromo-2-hydroxyphenyl)-1-azavinyl]carbamoylcarboxamide
CID 135410307
N'',N'''-Bis(5-bromo-2-hydroxybenzylidene)carbonohydrazide
CID 135429959
3,5-Dibromosalicylaldoxime
CID 548439
Carbohydrazide derivative, 3p
CID 135867736
[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]urea
CID 135521536
1-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-3-hydroxyurea
CID 135538072
Nsc9938
CID 135408771

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-3-hydroxyurea?
The IUPAC name of 1-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-3-hydroxyurea (CID 135507635) is 1-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-3-hydroxyurea.
What is the SMILES notation for 1-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-3-hydroxyurea?
The canonical SMILES for 1-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-3-hydroxyurea is O=C(NO)N/N=C/c1cc(Br)cc(Br)c1O.
What is the InChIKey of 1-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-3-hydroxyurea?
The InChIKey is YPCPTPHCVFVQLH-QDEBKDIKSA-N. The full InChI is InChI=1S/C8H7Br2N3O3/c9-5-1-4(7(14)6(10)2-5)3-11-12-8(15)13-16/h1-3,14,16H,(H2,12,13,15)/b11-3+.
What are the key properties of 1-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-3-hydroxyurea?
1-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-3-hydroxyurea has a molecular weight of 352.97 g/mol, XLogP of 1.94, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-3-hydroxyurea is sourced from PubChem (CID 135507635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).