N-(2-fluorophenyl)-N'-[(E)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]oxamide

C16H13FN4O6 — CID 135813863

IUPACN-(2-fluorophenyl)-N'-[(E)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]oxamide
SMILESCOc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2F)cc([N+](=O)[O-])c1O
InChIInChI=1S/C16H13FN4O6/c1-27-13-7-9(6-12(14(13)22)21(25)26)8-18-20-16(24)15(23)19-11-5-3-2-4-10(11)17/h2-8,22H,1H3,(H,19,23)(H,20,24)/b18-8+
InChIKeyHRHZPWHIVSQXFN-QGMBQPNBSA-N
MW376.30 g/mol
LogP1.54
Rot. Bonds5

About N-(2-fluorophenyl)-N'-[(E)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]oxamide

N-(2-fluorophenyl)-N'-[(E)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]oxamide (PubChem CID 135813863) has the molecular formula C16H13FN4O6 and a molecular weight of 376.30 g/mol. Its IUPAC name is N-(2-fluorophenyl)-N'-[(E)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]oxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-N'-[(E)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]oxamide
PubChem CID135813863
Molecular FormulaC16H13FN4O6
Molecular Weight376.30 g/mol
Exact Mass376.08
IUPAC NameN-(2-fluorophenyl)-N'-[(E)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]oxamide
SMILESCOc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2F)cc([N+](=O)[O-])c1O
InChIInChI=1S/C16H13FN4O6/c1-27-13-7-9(6-12(14(13)22)21(25)26)8-18-20-16(24)15(23)19-11-5-3-2-4-10(11)17/h2-8,22H,1H3,(H,19,23)(H,20,24)/b18-8+
InChIKeyHRHZPWHIVSQXFN-QGMBQPNBSA-N
XLogP1.54
TPSA143.16 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.30
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'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': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(E)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]urea
CID 135460439
N'-[(1E)-(2-hydroxy-3-methoxy-5-nitrophenyl)methylene]-2-[(3-methylphenyl)amino]propanohydrazide
CID 135497963
N'-[(E)-(2-Hydroxy-3-methoxy-5-nitrophenyl)methylidene]-2-[(2-methylphenyl)amino]propanehydrazide
CID 135517022
N'-[(E)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-2-phenylacetohydrazide
CID 135466626
(4Z)-1-(4-fluorophenyl)-4-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]pyrazolidine-3,5-dione
CID 1105597
2-(2-(3-Ethoxy-4-hydroxybenzylidene)hydrazino)-N-(4-fluorophenyl)-2-oxoacetamide
CID 135459108
2-(2-(4-HO-3-Methoxybenzylidene)hydrazino)-N-(3-methoxyphenyl)-2-oxoacetamide
CID 135515660
2-(2-(4-Hydroxy-3-methoxybenzylidene)hydrazino)-2-oxo-N-phenylacetamide
CID 135537494
(4E)-1-(4-fluorophenyl)-4-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]pyrazolidine-3,5-dione
CID 5441537
(E)-N-[(E)-benzylideneamino]-3-(4-hydroxy-3-methoxy-5-nitrophenyl)prop-2-enamide
CID 66572446
(E)-N-[(E)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-3-phenylprop-2-enamide
CID 135617979
N'-[(1E)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylene]-3-phenylpropanohydrazide
CID 135706720

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-N'-[(E)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]oxamide?
The IUPAC name of N-(2-fluorophenyl)-N'-[(E)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]oxamide (CID 135813863) is N-(2-fluorophenyl)-N'-[(E)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]oxamide.
What is the SMILES notation for N-(2-fluorophenyl)-N'-[(E)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]oxamide?
The canonical SMILES for N-(2-fluorophenyl)-N'-[(E)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]oxamide is COc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2F)cc([N+](=O)[O-])c1O.
What is the InChIKey of N-(2-fluorophenyl)-N'-[(E)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]oxamide?
The InChIKey is HRHZPWHIVSQXFN-QGMBQPNBSA-N. The full InChI is InChI=1S/C16H13FN4O6/c1-27-13-7-9(6-12(14(13)22)21(25)26)8-18-20-16(24)15(23)19-11-5-3-2-4-10(11)17/h2-8,22H,1H3,(H,19,23)(H,20,24)/b18-8+.
What are the key properties of N-(2-fluorophenyl)-N'-[(E)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]oxamide?
N-(2-fluorophenyl)-N'-[(E)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]oxamide has a molecular weight of 376.30 g/mol, XLogP of 1.54, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-N'-[(E)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]oxamide is sourced from PubChem (CID 135813863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).