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

C15H11BrClN3O3 — CID 135643518

IUPACN'-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(2-chlorophenyl)oxamide
SMILESO=C(N/N=C/c1cc(Br)ccc1O)C(=O)Nc1ccccc1Cl
InChIInChI=1S/C15H11BrClN3O3/c16-10-5-6-13(21)9(7-10)8-18-20-15(23)14(22)19-12-4-2-1-3-11(12)17/h1-8,21H,(H,19,22)(H,20,23)/b18-8+
InChIKeyLXXSKDUQVSJWLT-QGMBQPNBSA-N
MW396.63 g/mol
LogP2.90
Rot. Bonds3

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

N'-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(2-chlorophenyl)oxamide (PubChem CID 135643518) has the molecular formula C15H11BrClN3O3 and a molecular weight of 396.63 g/mol. Its IUPAC name is N'-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(2-chlorophenyl)oxamide.

Molecular Properties

Compound NameN'-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(2-chlorophenyl)oxamide
PubChem CID135643518
Molecular FormulaC15H11BrClN3O3
Molecular Weight396.63 g/mol
Exact Mass394.97
IUPAC NameN'-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(2-chlorophenyl)oxamide
SMILESO=C(N/N=C/c1cc(Br)ccc1O)C(=O)Nc1ccccc1Cl
InChIInChI=1S/C15H11BrClN3O3/c16-10-5-6-13(21)9(7-10)8-18-20-15(23)14(22)19-12-4-2-1-3-11(12)17/h1-8,21H,(H,19,22)(H,20,23)/b18-8+
InChIKeyLXXSKDUQVSJWLT-QGMBQPNBSA-N
XLogP2.90
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.63
LogP ≤ 52.90
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-(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
2-(2-(5-BR-2-Hydroxybenzylidene)hydrazino)-N-(2,5-dichlorophenyl)-2-oxoacetamide
CID 135613269
N-(3,4-Dichlorophenyl)-2-(2-(2-hydroxybenzylidene)hydrazino)-2-oxoacetamide
CID 135613568
2-(2-(5-Bromo-2-hydroxybenzylidene)hydrazino)-N-(4-methoxyphenyl)-2-oxoacetamide
CID 135752102
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
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-[(4-fluorophenyl)carbamoylamino]acetamide
CID 135491243

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(2-chlorophenyl)oxamide?
The IUPAC name of N'-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(2-chlorophenyl)oxamide (CID 135643518) is N'-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(2-chlorophenyl)oxamide.
What is the SMILES notation for N'-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(2-chlorophenyl)oxamide?
The canonical SMILES for N'-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(2-chlorophenyl)oxamide is O=C(N/N=C/c1cc(Br)ccc1O)C(=O)Nc1ccccc1Cl.
What is the InChIKey of N'-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(2-chlorophenyl)oxamide?
The InChIKey is LXXSKDUQVSJWLT-QGMBQPNBSA-N. The full InChI is InChI=1S/C15H11BrClN3O3/c16-10-5-6-13(21)9(7-10)8-18-20-15(23)14(22)19-12-4-2-1-3-11(12)17/h1-8,21H,(H,19,22)(H,20,23)/b18-8+.
What are the key properties of N'-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(2-chlorophenyl)oxamide?
N'-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(2-chlorophenyl)oxamide has a molecular weight of 396.63 g/mol, XLogP of 2.90, 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-chlorophenyl)oxamide is sourced from PubChem (CID 135643518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).