N'-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N-phenyloxamide

C15H12BrN3O3 — CID 135606781

IUPACN'-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N-phenyloxamide
SMILESO=C(N/N=C/c1cc(Br)ccc1O)C(=O)Nc1ccccc1
InChIInChI=1S/C15H12BrN3O3/c16-11-6-7-13(20)10(8-11)9-17-19-15(22)14(21)18-12-4-2-1-3-5-12/h1-9,20H,(H,18,21)(H,19,22)/b17-9+
InChIKeyKXCKDLGRFXQCHN-RQZCQDPDSA-N
MW362.18 g/mol
LogP2.24
Rot. Bonds3

About N'-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N-phenyloxamide

N'-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N-phenyloxamide (PubChem CID 135606781) has the molecular formula C15H12BrN3O3 and a molecular weight of 362.18 g/mol. Its IUPAC name is N'-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N-phenyloxamide.

Molecular Properties

Compound NameN'-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N-phenyloxamide
PubChem CID135606781
Molecular FormulaC15H12BrN3O3
Molecular Weight362.18 g/mol
Exact Mass361.01
IUPAC NameN'-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N-phenyloxamide
SMILESO=C(N/N=C/c1cc(Br)ccc1O)C(=O)Nc1ccccc1
InChIInChI=1S/C15H12BrN3O3/c16-11-6-7-13(20)10(8-11)9-17-19-15(22)14(21)18-12-4-2-1-3-5-12/h1-9,20H,(H,18,21)(H,19,22)/b17-9+
InChIKeyKXCKDLGRFXQCHN-RQZCQDPDSA-N
XLogP2.24
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.18
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', '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

2-(2-(3-Allyl-2-hydroxybenzylidene)hydrazino)-N-(4-methylphenyl)-2-oxoacetamide
CID 135433321
2-[2-(5-bromo-2-hydroxybenzylidene)hydrazino]-2-oxo-N-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]acetamide
CID 135438770
2-[(2E)-2-(5-bromo-2-hydroxybenzylidene)hydrazino]-N-(2-ethoxyphenyl)-2-oxoacetamide
CID 135439741
2-[(2E)-2-(2-hydroxybenzylidene)hydrazinyl]-N-(2-methylphenyl)-2-oxoacetamide
CID 135419636
N'-[(1E)-(5-bromo-2-methoxyphenyl)methylene]-2-[(4-methoxyphenyl)amino]propanohydrazide
CID 46498191
N'-(3-allyl-2-hydroxybenzylidene)-2-anilinoacetohydrazide
CID 135490294
N-(4-Bromophenyl)-3-{N'-[(E)-(4-hydroxyphenyl)methylidene]hydrazinecarbonyl}propanamide
CID 135609369
N'-(2-Hydroxybenzylidene)-2-(3-toluidino)acetohydrazide
CID 135479388
2-(2-(2-Hydroxybenzylidene)hydrazino)-N-(4-methylphenyl)-2-oxoacetamide
CID 135459122
5-bromo-2-hydroxybenzaldehyde N-phenylsemicarbazone
CID 135401440
N'-(3,5-dibromo-2-hydroxybenzylidene)-4-[(4-methylphenyl)amino]butanohydrazide
CID 135478331
4-acetamido-N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]benzamide
CID 135559957

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N-phenyloxamide?
The IUPAC name of N'-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N-phenyloxamide (CID 135606781) is N'-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N-phenyloxamide.
What is the SMILES notation for N'-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N-phenyloxamide?
The canonical SMILES for N'-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N-phenyloxamide is O=C(N/N=C/c1cc(Br)ccc1O)C(=O)Nc1ccccc1.
What is the InChIKey of N'-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N-phenyloxamide?
The InChIKey is KXCKDLGRFXQCHN-RQZCQDPDSA-N. The full InChI is InChI=1S/C15H12BrN3O3/c16-11-6-7-13(20)10(8-11)9-17-19-15(22)14(21)18-12-4-2-1-3-5-12/h1-9,20H,(H,18,21)(H,19,22)/b17-9+.
What are the key properties of N'-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N-phenyloxamide?
N'-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N-phenyloxamide has a molecular weight of 362.18 g/mol, XLogP of 2.24, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N-phenyloxamide is sourced from PubChem (CID 135606781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).