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

C26H20BrN3O3 — CID 51060582

IUPACN'-[(E)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]-N-naphthalen-1-yloxamide
SMILESO=C(N/N=C/c1cc(Br)ccc1OCc1ccccc1)C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C26H20BrN3O3/c27-21-13-14-24(33-17-18-7-2-1-3-8-18)20(15-21)16-28-30-26(32)25(31)29-23-12-6-10-19-9-4-5-11-22(19)23/h1-16H,17H2,(H,29,31)(H,30,32)/b28-16+
InChIKeyNXRINETUAXTFRU-LQKURTRISA-N
MW502.37 g/mol
LogP5.27
Rot. Bonds6

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

N'-[(E)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]-N-naphthalen-1-yloxamide (PubChem CID 51060582) has the molecular formula C26H20BrN3O3 and a molecular weight of 502.37 g/mol. Its IUPAC name is N'-[(E)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]-N-naphthalen-1-yloxamide.

Molecular Properties

Compound NameN'-[(E)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]-N-naphthalen-1-yloxamide
PubChem CID51060582
Molecular FormulaC26H20BrN3O3
Molecular Weight502.37 g/mol
Exact Mass501.07
IUPAC NameN'-[(E)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]-N-naphthalen-1-yloxamide
SMILESO=C(N/N=C/c1cc(Br)ccc1OCc1ccccc1)C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C26H20BrN3O3/c27-21-13-14-24(33-17-18-7-2-1-3-8-18)20(15-21)16-28-30-26(32)25(31)29-23-12-6-10-19-9-4-5-11-22(19)23/h1-16H,17H2,(H,29,31)(H,30,32)/b28-16+
InChIKeyNXRINETUAXTFRU-LQKURTRISA-N
XLogP5.27
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.37
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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

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CID 9620252
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2-(Naphthalen-1-ylamino)-N-[(E)-(3-phenoxyphenyl)methylideneamino]acetamide
CID 9598262
N'-[2-(benzyloxy)benzylidene]-2-(4-bromoanilino)propanohydrazide
CID 9675943
N-[(E)-[2-(3-bromobenzyl)oxybenzylidene]amino]-2-(p-anisidino)propionamide
CID 56642833
2-(2-(4-(Benzyloxy)benzylidene)hydrazino)-N-(1-naphthyl)-2-oxoacetamide
CID 6241082
2-(2-(5-Bromo-2-methoxybenzylidene)hydrazino)-2-oxo-N-phenylacetamide
CID 9565512
2-(2-(2,5-Dimethoxybenzylidene)hydrazino)-N-(1-naphthyl)-2-oxoacetamide
CID 9591551
2-(2-(3-Methoxybenzylidene)hydrazino)-N-(1-naphthyl)-2-oxoacetamide
CID 9596183
4-BR-2-(2-((1-Naphthylamino)(oxo)AC)carbohydrazonoyl)phenyl 4-propoxybenzoate
CID 9610404
4-BR-2-(2-((1-Naphthylamino)(oxo)acetyl)carbohydrazonoyl)phenyl 4-chlorobenzoate
CID 9620587
4-(2-((1-Naphthylamino)(oxo)acetyl)carbohydrazonoyl)phenyl 4-bromobenzoate
CID 9625311

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]-N-naphthalen-1-yloxamide?
The IUPAC name of N'-[(E)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]-N-naphthalen-1-yloxamide (CID 51060582) is N'-[(E)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]-N-naphthalen-1-yloxamide.
What is the SMILES notation for N'-[(E)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]-N-naphthalen-1-yloxamide?
The canonical SMILES for N'-[(E)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]-N-naphthalen-1-yloxamide is O=C(N/N=C/c1cc(Br)ccc1OCc1ccccc1)C(=O)Nc1cccc2ccccc12.
What is the InChIKey of N'-[(E)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]-N-naphthalen-1-yloxamide?
The InChIKey is NXRINETUAXTFRU-LQKURTRISA-N. The full InChI is InChI=1S/C26H20BrN3O3/c27-21-13-14-24(33-17-18-7-2-1-3-8-18)20(15-21)16-28-30-26(32)25(31)29-23-12-6-10-19-9-4-5-11-22(19)23/h1-16H,17H2,(H,29,31)(H,30,32)/b28-16+.
What are the key properties of N'-[(E)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]-N-naphthalen-1-yloxamide?
N'-[(E)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]-N-naphthalen-1-yloxamide has a molecular weight of 502.37 g/mol, XLogP of 5.27, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]-N-naphthalen-1-yloxamide is sourced from PubChem (CID 51060582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).