2-hydroxy-N-[(E)-(2-hydroxy-5-nitrosophenyl)methylideneamino]benzamide

C14H11N3O4 — CID 136502811

IUPAC2-hydroxy-N-[(E)-(2-hydroxy-5-nitrosophenyl)methylideneamino]benzamide
SMILESO=Nc1ccc(O)c(/C=N/NC(=O)c2ccccc2O)c1
InChIInChI=1S/C14H11N3O4/c18-12-6-5-10(17-21)7-9(12)8-15-16-14(20)11-3-1-2-4-13(11)19/h1-8,18-19H,(H,16,20)/b15-8+
InChIKeyQNNDXHOVLGUGPB-OVCLIPMQSA-N
MW285.26 g/mol
LogP2.26
Rot. Bonds4

About 2-hydroxy-N-[(E)-(2-hydroxy-5-nitrosophenyl)methylideneamino]benzamide

2-hydroxy-N-[(E)-(2-hydroxy-5-nitrosophenyl)methylideneamino]benzamide (PubChem CID 136502811) has the molecular formula C14H11N3O4 and a molecular weight of 285.26 g/mol. Its IUPAC name is 2-hydroxy-N-[(E)-(2-hydroxy-5-nitrosophenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name2-hydroxy-N-[(E)-(2-hydroxy-5-nitrosophenyl)methylideneamino]benzamide
PubChem CID136502811
Molecular FormulaC14H11N3O4
Molecular Weight285.26 g/mol
Exact Mass285.07
IUPAC Name2-hydroxy-N-[(E)-(2-hydroxy-5-nitrosophenyl)methylideneamino]benzamide
SMILESO=Nc1ccc(O)c(/C=N/NC(=O)c2ccccc2O)c1
InChIInChI=1S/C14H11N3O4/c18-12-6-5-10(17-21)7-9(12)8-15-16-14(20)11-3-1-2-4-13(11)19/h1-8,18-19H,(H,16,20)/b15-8+
InChIKeyQNNDXHOVLGUGPB-OVCLIPMQSA-N
XLogP2.26
TPSA111.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.26
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-2-hydroxybenzamide
CID 135641867
2-hydroxy-N-[[2-hydroxy-5-[[4-hydroxy-3-[[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenyl]methyl]phenyl]methylideneamino]benzamide
CID 4531044
2-hydroxy-N-[(E)-[2-hydroxy-5-(trifluoromethoxy)phenyl]methylideneamino]benzamide
CID 135959938
2-bromo-N-[(5-bromo-2-hydroxyphenyl)methylideneamino]benzamide
CID 4135115
N-[(2-fluorophenyl)methylideneamino]-2-hydroxybenzamide
CID 674709
2-hydroxy-N-[(Z)-(2-methylphenyl)methylideneamino]benzamide
CID 5392167
N-[(E)-(3-fluoro-2-hydroxyphenyl)methylideneamino]-2-hydroxybenzamide
CID 135959957
N-[(E)-(5-bromo-2-fluorophenyl)methylideneamino]-2-hydroxybenzamide
CID 5335710
N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-2-methylbenzamide
CID 719568
2,4-dibromo-6-[(E)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenolate;2,4-dibromo-6-[(Z)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenolate;iron(3+);chloride
CID 24893012
N-[(Z)-[5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]-2-hydroxybenzamide
CID 136911367
N-[(3,4-dichloro-2-hydroxyphenyl)methylideneamino]-2-hydroxybenzamide
CID 137095074

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[(E)-(2-hydroxy-5-nitrosophenyl)methylideneamino]benzamide?
The IUPAC name of 2-hydroxy-N-[(E)-(2-hydroxy-5-nitrosophenyl)methylideneamino]benzamide (CID 136502811) is 2-hydroxy-N-[(E)-(2-hydroxy-5-nitrosophenyl)methylideneamino]benzamide.
What is the SMILES notation for 2-hydroxy-N-[(E)-(2-hydroxy-5-nitrosophenyl)methylideneamino]benzamide?
The canonical SMILES for 2-hydroxy-N-[(E)-(2-hydroxy-5-nitrosophenyl)methylideneamino]benzamide is O=Nc1ccc(O)c(/C=N/NC(=O)c2ccccc2O)c1.
What is the InChIKey of 2-hydroxy-N-[(E)-(2-hydroxy-5-nitrosophenyl)methylideneamino]benzamide?
The InChIKey is QNNDXHOVLGUGPB-OVCLIPMQSA-N. The full InChI is InChI=1S/C14H11N3O4/c18-12-6-5-10(17-21)7-9(12)8-15-16-14(20)11-3-1-2-4-13(11)19/h1-8,18-19H,(H,16,20)/b15-8+.
What are the key properties of 2-hydroxy-N-[(E)-(2-hydroxy-5-nitrosophenyl)methylideneamino]benzamide?
2-hydroxy-N-[(E)-(2-hydroxy-5-nitrosophenyl)methylideneamino]benzamide has a molecular weight of 285.26 g/mol, XLogP of 2.26, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[(E)-(2-hydroxy-5-nitrosophenyl)methylideneamino]benzamide is sourced from PubChem (CID 136502811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).