N'-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-N-naphthalen-1-yloxamide

C19H15N3O4 — CID 135822485

IUPACN'-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-N-naphthalen-1-yloxamide
SMILESO=C(N/N=C/c1ccc(O)cc1O)C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C19H15N3O4/c23-14-9-8-13(17(24)10-14)11-20-22-19(26)18(25)21-16-7-3-5-12-4-1-2-6-15(12)16/h1-11,23-24H,(H,21,25)(H,22,26)/b20-11+
InChIKeyPMMZCUMRWFHNHI-RGVLZGJSSA-N
MW349.35 g/mol
LogP2.34
Rot. Bonds3

About N'-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-N-naphthalen-1-yloxamide

N'-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-N-naphthalen-1-yloxamide (PubChem CID 135822485) has the molecular formula C19H15N3O4 and a molecular weight of 349.35 g/mol. Its IUPAC name is N'-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-N-naphthalen-1-yloxamide.

Molecular Properties

Compound NameN'-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-N-naphthalen-1-yloxamide
PubChem CID135822485
Molecular FormulaC19H15N3O4
Molecular Weight349.35 g/mol
Exact Mass349.11
IUPAC NameN'-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-N-naphthalen-1-yloxamide
SMILESO=C(N/N=C/c1ccc(O)cc1O)C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C19H15N3O4/c23-14-9-8-13(17(24)10-14)11-20-22-19(26)18(25)21-16-7-3-5-12-4-1-2-6-15(12)16/h1-11,23-24H,(H,21,25)(H,22,26)/b20-11+
InChIKeyPMMZCUMRWFHNHI-RGVLZGJSSA-N
XLogP2.34
TPSA111.02 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
LogP ≤ 52.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hzone_phenol_B(215)', '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
2-anilino-N'-[(1E)-(2-hydroxy-1-naphthyl)methylene]acetohydrazide
CID 135699116
2-[(4-Fluorophenyl)amino]-N'-[(E)-(2-hydroxynaphthalen-1-YL)methylidene]acetohydrazide
CID 135745098
2-[(2E)-2-(2-hydroxybenzylidene)hydrazinyl]-N-(2-methylphenyl)-2-oxoacetamide
CID 135419636
N'-[(1E)-(3-allyl-2-hydroxyphenyl)methylene]-2-(1-naphthylamino)acetohydrazide
CID 135420093
(3,4-Dihydro-2H-quinolin-1-yl)-acetic acid [1-(2-hydroxy-naphthalen-1-yl)-meth-(E)-ylidene]-hydrazide
CID 135484398
3-{N'-[(E)-(2,4-Dihydroxyphenyl)methylidene]hydrazinecarbonyl}-N-(3-methylphenyl)propanamide
CID 135504206
2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]acetamide
CID 135517103
4-[(E)-(naphthalen-2-ylhydrazinylidene)methyl]benzene-1,3-diol
CID 135519910
1-(2,4-Dihydroxybenzylidene)-4-(naphth-1-yl)-3-thiosemicarbazide
CID 135925163
2-{2-[(2-hydroxy-1-naphthyl)methylene]hydrazino}-2-oxo-N-[3-(trifluoromethyl)phenyl]acetamide
CID 135625836

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-N-naphthalen-1-yloxamide?
The IUPAC name of N'-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-N-naphthalen-1-yloxamide (CID 135822485) is N'-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-N-naphthalen-1-yloxamide.
What is the SMILES notation for N'-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-N-naphthalen-1-yloxamide?
The canonical SMILES for N'-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-N-naphthalen-1-yloxamide is O=C(N/N=C/c1ccc(O)cc1O)C(=O)Nc1cccc2ccccc12.
What is the InChIKey of N'-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-N-naphthalen-1-yloxamide?
The InChIKey is PMMZCUMRWFHNHI-RGVLZGJSSA-N. The full InChI is InChI=1S/C19H15N3O4/c23-14-9-8-13(17(24)10-14)11-20-22-19(26)18(25)21-16-7-3-5-12-4-1-2-6-15(12)16/h1-11,23-24H,(H,21,25)(H,22,26)/b20-11+.
What are the key properties of N'-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-N-naphthalen-1-yloxamide?
N'-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-N-naphthalen-1-yloxamide has a molecular weight of 349.35 g/mol, XLogP of 2.34, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-N-naphthalen-1-yloxamide is sourced from PubChem (CID 135822485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).