N'-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N-naphthalen-1-yloxamide

C19H14BrN3O3 — CID 135716947

IUPACN'-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N-naphthalen-1-yloxamide
SMILESO=C(N/N=C/c1cc(Br)ccc1O)C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C19H14BrN3O3/c20-14-8-9-17(24)13(10-14)11-21-23-19(26)18(25)22-16-7-3-5-12-4-1-2-6-15(12)16/h1-11,24H,(H,22,25)(H,23,26)/b21-11+
InChIKeyKRRAZTBBUHIBFH-SRZZPIQSSA-N
MW412.24 g/mol
LogP3.40
Rot. Bonds3

About N'-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N-naphthalen-1-yloxamide

N'-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N-naphthalen-1-yloxamide (PubChem CID 135716947) has the molecular formula C19H14BrN3O3 and a molecular weight of 412.24 g/mol. Its IUPAC name is N'-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N-naphthalen-1-yloxamide.

Molecular Properties

Compound NameN'-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N-naphthalen-1-yloxamide
PubChem CID135716947
Molecular FormulaC19H14BrN3O3
Molecular Weight412.24 g/mol
Exact Mass411.02
IUPAC NameN'-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N-naphthalen-1-yloxamide
SMILESO=C(N/N=C/c1cc(Br)ccc1O)C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C19H14BrN3O3/c20-14-8-9-17(24)13(10-14)11-21-23-19(26)18(25)22-16-7-3-5-12-4-1-2-6-15(12)16/h1-11,24H,(H,22,25)(H,23,26)/b21-11+
InChIKeyKRRAZTBBUHIBFH-SRZZPIQSSA-N
XLogP3.40
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.24
LogP ≤ 53.40
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

N'-(3,5-dibromo-2,4-dihydroxybenzylidene)-2-(naphthalen-2-ylamino)acetohydrazide
CID 135476586
CFTR Inhibitor II, GlyH-101
CID 136218970
N'-[(1E)-(3-allyl-2-hydroxyphenyl)methylene]-2-(1-naphthylamino)acetohydrazide
CID 135420093
2-(2-(2-((4-Bromobenzyl)oxy)benzylidene)hydrazino)-N-(1-naphthyl)-2-oxoacetamide
CID 45055094
2-(2-(3-Hydroxybenzylidene)hydrazino)-N-(1-naphthyl)-2-oxoacetamide
CID 51060528
2-(2-(2-(Benzyloxy)-5-bromobenzylidene)hydrazino)-N-(1-naphthyl)-2-oxoacetamide
CID 51060582
2-(2-(5-BR-2-(2-Propynyloxy)benzylidene)hydrazino)-N-(1-naphthyl)-2-oxoacetamide
CID 51060649
2-(2-((2-Hydroxy-1-naphthyl)methylene)hydrazino)-N-(1-naphthyl)-2-oxoacetamide
CID 135592770
2-(2-(5-Bromo-2-hydroxybenzylidene)hydrazino)-2-oxo-N-phenylacetamide
CID 135606781
2-(2-(5-Bromo-2-hydroxybenzylidene)hydrazino)-N-(4-methylphenyl)-2-oxoacetamide
CID 135822220
2-(2-(4-Hydroxybenzylidene)hydrazino)-N-(1-naphthyl)-2-oxoacetamide
CID 136627432
2-(2-((2-Hydroxy-1-naphthyl)methylene)hydrazino)-2-oxo-N-phenylacetamide
CID 136627435

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N-naphthalen-1-yloxamide?
The IUPAC name of N'-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N-naphthalen-1-yloxamide (CID 135716947) is N'-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N-naphthalen-1-yloxamide.
What is the SMILES notation for N'-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N-naphthalen-1-yloxamide?
The canonical SMILES for N'-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N-naphthalen-1-yloxamide is O=C(N/N=C/c1cc(Br)ccc1O)C(=O)Nc1cccc2ccccc12.
What is the InChIKey of N'-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N-naphthalen-1-yloxamide?
The InChIKey is KRRAZTBBUHIBFH-SRZZPIQSSA-N. The full InChI is InChI=1S/C19H14BrN3O3/c20-14-8-9-17(24)13(10-14)11-21-23-19(26)18(25)22-16-7-3-5-12-4-1-2-6-15(12)16/h1-11,24H,(H,22,25)(H,23,26)/b21-11+.
What are the key properties of N'-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N-naphthalen-1-yloxamide?
N'-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N-naphthalen-1-yloxamide has a molecular weight of 412.24 g/mol, XLogP of 3.40, 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-naphthalen-1-yloxamide is sourced from PubChem (CID 135716947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).