N'-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(2,5-dichlorophenyl)oxamide

C15H10BrCl2N3O3 — CID 135613269

IUPACN'-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(2,5-dichlorophenyl)oxamide
SMILESO=C(N/N=C/c1cc(Br)ccc1O)C(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C15H10BrCl2N3O3/c16-9-1-4-13(22)8(5-9)7-19-21-15(24)14(23)20-12-6-10(17)2-3-11(12)18/h1-7,22H,(H,20,23)(H,21,24)/b19-7+
InChIKeyGPCSYZSFDQZKMO-FBCYGCLPSA-N
MW431.07 g/mol
LogP3.55
Rot. Bonds3

About N'-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(2,5-dichlorophenyl)oxamide

N'-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(2,5-dichlorophenyl)oxamide (PubChem CID 135613269) has the molecular formula C15H10BrCl2N3O3 and a molecular weight of 431.07 g/mol. Its IUPAC name is N'-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(2,5-dichlorophenyl)oxamide.

Molecular Properties

Compound NameN'-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(2,5-dichlorophenyl)oxamide
PubChem CID135613269
Molecular FormulaC15H10BrCl2N3O3
Molecular Weight431.07 g/mol
Exact Mass428.93
IUPAC NameN'-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(2,5-dichlorophenyl)oxamide
SMILESO=C(N/N=C/c1cc(Br)ccc1O)C(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C15H10BrCl2N3O3/c16-9-1-4-13(22)8(5-9)7-19-21-15(24)14(23)20-12-6-10(17)2-3-11(12)18/h1-7,22H,(H,20,23)(H,21,24)/b19-7+
InChIKeyGPCSYZSFDQZKMO-FBCYGCLPSA-N
XLogP3.55
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.07
LogP ≤ 53.55
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-chloro-3-fluoroanilino)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide
CID 136224902
2-(3-chloro-4-fluoro-anilino)-N-[(E)-(2-hydroxyphenyl)methyleneamino]acetamide
CID 136400277
2-(2-(5-BR-2-Methoxybenzylidene)hydrazino)-N-(3,4-dichlorophenyl)-2-oxoacetamide
CID 9667896
2-(2-(5-BR-2-Methoxybenzylidene)hydrazino)-N-(2,3-dichlorophenyl)-2-oxoacetamide
CID 9672203
2-(2-(2-(Allyloxy)-5-bromobenzylidene)hydrazino)-N-(2,3-DI-CL-PH)-2-oxoacetamide
CID 9672207
2-(2-(5-Bromo-2-hydroxybenzylidene)hydrazino)-2-oxo-N-phenylacetamide
CID 135606781
N-(3,4-Dichlorophenyl)-2-(2-(2-hydroxybenzylidene)hydrazino)-2-oxoacetamide
CID 135613568
2-(2-(5-Bromo-2-hydroxybenzylidene)hydrazino)-N-(2-chlorophenyl)-2-oxoacetamide
CID 135643518
N-(2,3-Dichlorophenyl)-2-(2-(4-hydroxybenzylidene)hydrazino)-2-oxoacetamide
CID 135817001
2-(2-(5-Bromo-2-hydroxybenzylidene)hydrazino)-N-(4-methylphenyl)-2-oxoacetamide
CID 135822220
2-(4-chloroanilino)-N-[(E)-(2-hydroxyphenyl)methyleneamino]acetamide
CID 135419709
2-[(4-Bromophenyl)amino]-N'-[(E)-(2-hydroxyphenyl)methylidene]acetohydrazide
CID 135699113

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(2,5-dichlorophenyl)oxamide?
The IUPAC name of N'-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(2,5-dichlorophenyl)oxamide (CID 135613269) is N'-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(2,5-dichlorophenyl)oxamide.
What is the SMILES notation for N'-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(2,5-dichlorophenyl)oxamide?
The canonical SMILES for N'-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(2,5-dichlorophenyl)oxamide is O=C(N/N=C/c1cc(Br)ccc1O)C(=O)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of N'-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(2,5-dichlorophenyl)oxamide?
The InChIKey is GPCSYZSFDQZKMO-FBCYGCLPSA-N. The full InChI is InChI=1S/C15H10BrCl2N3O3/c16-9-1-4-13(22)8(5-9)7-19-21-15(24)14(23)20-12-6-10(17)2-3-11(12)18/h1-7,22H,(H,20,23)(H,21,24)/b19-7+.
What are the key properties of N'-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(2,5-dichlorophenyl)oxamide?
N'-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(2,5-dichlorophenyl)oxamide has a molecular weight of 431.07 g/mol, XLogP of 3.55, 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-(2,5-dichlorophenyl)oxamide is sourced from PubChem (CID 135613269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).