N-[(E)-(2-hydroxy-6-nitronaphthalen-1-yl)methylideneamino]-2-phenylacetamide

C19H15N3O4 — CID 135588681

IUPACN-[(E)-(2-hydroxy-6-nitronaphthalen-1-yl)methylideneamino]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)N/N=C/c1c(O)ccc2cc([N+](=O)[O-])ccc12
InChIInChI=1S/C19H15N3O4/c23-18-9-6-14-11-15(22(25)26)7-8-16(14)17(18)12-20-21-19(24)10-13-4-2-1-3-5-13/h1-9,11-12,23H,10H2,(H,21,24)/b20-12+
InChIKeyWQDCINSPZVJOTG-UDWIEESQSA-N
MW349.35 g/mol
LogP3.15
Rot. Bonds5

About N-[(E)-(2-hydroxy-6-nitronaphthalen-1-yl)methylideneamino]-2-phenylacetamide

N-[(E)-(2-hydroxy-6-nitronaphthalen-1-yl)methylideneamino]-2-phenylacetamide (PubChem CID 135588681) has the molecular formula C19H15N3O4 and a molecular weight of 349.35 g/mol. Its IUPAC name is N-[(E)-(2-hydroxy-6-nitronaphthalen-1-yl)methylideneamino]-2-phenylacetamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxy-6-nitronaphthalen-1-yl)methylideneamino]-2-phenylacetamide
PubChem CID135588681
Molecular FormulaC19H15N3O4
Molecular Weight349.35 g/mol
Exact Mass349.11
IUPAC NameN-[(E)-(2-hydroxy-6-nitronaphthalen-1-yl)methylideneamino]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)N/N=C/c1c(O)ccc2cc([N+](=O)[O-])ccc12
InChIInChI=1S/C19H15N3O4/c23-18-9-6-14-11-15(22(25)26)7-8-16(14)17(18)12-20-21-19(24)10-13-4-2-1-3-5-13/h1-9,11-12,23H,10H2,(H,21,24)/b20-12+
InChIKeyWQDCINSPZVJOTG-UDWIEESQSA-N
XLogP3.15
TPSA104.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-hydroxy-N'-[(E)-(2-hydroxy-5-nitrophenyl)methylidene]-2,2-diphenylacetohydrazide
CID 135642278
N'-[(E)-(2-hydroxy-5-nitrophenyl)methylidene]naphthalene-1-carbohydrazide
CID 135403159
N'-{4-hydroxy-3-nitrobenzylidene}-2-(1-naphthyl)acetohydrazide
CID 135455115
N-[(2-hydroxy-5-nitrophenyl)methylideneamino]naphthalene-1-carboxamide
CID 3336159
3-Amino-4-hydroxy-benzoic acid (4-hydroxy-naphthalen-1-ylmethylene)-hydrazide
CID 135538098
N'-[(E)-(2-hydroxynaphthalen-1-yl)methylidene]-3,5-dinitrobenzohydrazide
CID 135400296
Benzoic acid, 2-amino-, 2-[(2-hydroxy-1-naphthalenyl)methylene]hydrazide
CID 135770382
N'-[(2-methoxy-1-naphthyl)methylene]-4-nitrobenzohydrazide
CID 5332267
N-[(E)-(4-methoxynaphthalen-1-yl)methylideneamino]-3-nitrobenzamide
CID 6875503
N'-[(E)-(2-methoxynaphthalen-1-yl)methylidene]-3-nitrobenzohydrazide
CID 9562832
N''-(5-tert-butyl-2-hydroxybenzylidene)-4-nitrobenzohydrazide
CID 136094769
N'-[(2-hydroxy-1-naphthyl)methylene]-4-nitrobenzohydrazide
CID 135400293

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-hydroxy-6-nitronaphthalen-1-yl)methylideneamino]-2-phenylacetamide?
The IUPAC name of N-[(E)-(2-hydroxy-6-nitronaphthalen-1-yl)methylideneamino]-2-phenylacetamide (CID 135588681) is N-[(E)-(2-hydroxy-6-nitronaphthalen-1-yl)methylideneamino]-2-phenylacetamide.
What is the SMILES notation for N-[(E)-(2-hydroxy-6-nitronaphthalen-1-yl)methylideneamino]-2-phenylacetamide?
The canonical SMILES for N-[(E)-(2-hydroxy-6-nitronaphthalen-1-yl)methylideneamino]-2-phenylacetamide is O=C(Cc1ccccc1)N/N=C/c1c(O)ccc2cc([N+](=O)[O-])ccc12.
What is the InChIKey of N-[(E)-(2-hydroxy-6-nitronaphthalen-1-yl)methylideneamino]-2-phenylacetamide?
The InChIKey is WQDCINSPZVJOTG-UDWIEESQSA-N. The full InChI is InChI=1S/C19H15N3O4/c23-18-9-6-14-11-15(22(25)26)7-8-16(14)17(18)12-20-21-19(24)10-13-4-2-1-3-5-13/h1-9,11-12,23H,10H2,(H,21,24)/b20-12+.
What are the key properties of N-[(E)-(2-hydroxy-6-nitronaphthalen-1-yl)methylideneamino]-2-phenylacetamide?
N-[(E)-(2-hydroxy-6-nitronaphthalen-1-yl)methylideneamino]-2-phenylacetamide has a molecular weight of 349.35 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-hydroxy-6-nitronaphthalen-1-yl)methylideneamino]-2-phenylacetamide is sourced from PubChem (CID 135588681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).