2-hydroxy-N-[(E)-(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]benzamide

C15H13N3O6 — CID 135591533

IUPAC2-hydroxy-N-[(E)-(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]benzamide
SMILESCOc1cc([N+](=O)[O-])cc(/C=N/NC(=O)c2ccccc2O)c1O
InChIInChI=1S/C15H13N3O6/c1-24-13-7-10(18(22)23)6-9(14(13)20)8-16-17-15(21)11-4-2-3-5-12(11)19/h2-8,19-20H,1H3,(H,17,21)/b16-8+
InChIKeyZIMUZKJKOHIUOP-LZYBPNLTSA-N
MW331.28 g/mol
LogP1.78
Rot. Bonds5

About 2-hydroxy-N-[(E)-(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]benzamide

2-hydroxy-N-[(E)-(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]benzamide (PubChem CID 135591533) has the molecular formula C15H13N3O6 and a molecular weight of 331.28 g/mol. Its IUPAC name is 2-hydroxy-N-[(E)-(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name2-hydroxy-N-[(E)-(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]benzamide
PubChem CID135591533
Molecular FormulaC15H13N3O6
Molecular Weight331.28 g/mol
Exact Mass331.08
IUPAC Name2-hydroxy-N-[(E)-(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]benzamide
SMILESCOc1cc([N+](=O)[O-])cc(/C=N/NC(=O)c2ccccc2O)c1O
InChIInChI=1S/C15H13N3O6/c1-24-13-7-10(18(22)23)6-9(14(13)20)8-16-17-15(21)11-4-2-3-5-12(11)19/h2-8,19-20H,1H3,(H,17,21)/b16-8+
InChIKeyZIMUZKJKOHIUOP-LZYBPNLTSA-N
XLogP1.78
TPSA134.29 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.28
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

N'-(4-Hydroxy-3-methoxybenzylidene)-3-nitrobenzohydrazide
CID 86261405
2-cyano-N'-[(E)-(2-hydroxy-3-methoxy-5-nitrophenyl)methylidene]acetohydrazide
CID 135439717
N'-{3-ethoxy-2-hydroxy-5-nitrobenzylidene}-5-methyl-3-phenyl-4-isoxazolecarbohydrazide
CID 135489041
N'-(2-Hydroxy-3-methoxybenzylidene)-4-nitrobenzohydrazide
CID 135648354
N'-(3-hydroxy-4-methoxybenzylidene)-3-nitrobenzohydrazide
CID 6868965
N'-(3,4-dimethoxybenzylidene)-3-nitrobenzohydrazide
CID 6894837
N'-[(1E)-(4-hydroxy-3,5-dimethoxyphenyl)methylene]-3-nitrobenzohydrazide
CID 135472787
N'-[(E)-(2-hydroxy-5-nitrophenyl)methylidene]-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 135479471
2-hydroxy-N'-[(E)-(2-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-2,2-diphenylacetohydrazide
CID 135613280
(Z)-N'-(2-hydroxy-3-methoxy-5-nitrobenzylidene)-2,3-dihydrobenzo[b][1,4]dioxine-2-carbohydrazide
CID 135779769
N'-[(E)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-2-phenylacetohydrazide
CID 135466626
Methyl nzenesulfonohydrazide
CID 135433317

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[(E)-(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]benzamide?
The IUPAC name of 2-hydroxy-N-[(E)-(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]benzamide (CID 135591533) is 2-hydroxy-N-[(E)-(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]benzamide.
What is the SMILES notation for 2-hydroxy-N-[(E)-(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]benzamide?
The canonical SMILES for 2-hydroxy-N-[(E)-(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]benzamide is COc1cc([N+](=O)[O-])cc(/C=N/NC(=O)c2ccccc2O)c1O.
What is the InChIKey of 2-hydroxy-N-[(E)-(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]benzamide?
The InChIKey is ZIMUZKJKOHIUOP-LZYBPNLTSA-N. The full InChI is InChI=1S/C15H13N3O6/c1-24-13-7-10(18(22)23)6-9(14(13)20)8-16-17-15(21)11-4-2-3-5-12(11)19/h2-8,19-20H,1H3,(H,17,21)/b16-8+.
What are the key properties of 2-hydroxy-N-[(E)-(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]benzamide?
2-hydroxy-N-[(E)-(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]benzamide has a molecular weight of 331.28 g/mol, XLogP of 1.78, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[(E)-(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]benzamide is sourced from PubChem (CID 135591533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).