N-(4-fluorophenyl)-N'-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]oxamide

C15H11FN4O5 — CID 135814020

IUPACN-(4-fluorophenyl)-N'-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]oxamide
SMILESO=C(N/N=C\c1ccc(O)c([N+](=O)[O-])c1)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C15H11FN4O5/c16-10-2-4-11(5-3-10)18-14(22)15(23)19-17-8-9-1-6-13(21)12(7-9)20(24)25/h1-8,21H,(H,18,22)(H,19,23)/b17-8-
InChIKeyBXRJENHPVDWLQS-IUXPMGMMSA-N
MW346.27 g/mol
LogP1.53
Rot. Bonds4

About N-(4-fluorophenyl)-N'-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]oxamide

N-(4-fluorophenyl)-N'-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]oxamide (PubChem CID 135814020) has the molecular formula C15H11FN4O5 and a molecular weight of 346.27 g/mol. Its IUPAC name is N-(4-fluorophenyl)-N'-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]oxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-N'-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]oxamide
PubChem CID135814020
Molecular FormulaC15H11FN4O5
Molecular Weight346.27 g/mol
Exact Mass346.07
IUPAC NameN-(4-fluorophenyl)-N'-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]oxamide
SMILESO=C(N/N=C\c1ccc(O)c([N+](=O)[O-])c1)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C15H11FN4O5/c16-10-2-4-11(5-3-10)18-14(22)15(23)19-17-8-9-1-6-13(21)12(7-9)20(24)25/h1-8,21H,(H,18,22)(H,19,23)/b17-8-
InChIKeyBXRJENHPVDWLQS-IUXPMGMMSA-N
XLogP1.53
TPSA133.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.27
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-N'-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]oxamide?
The IUPAC name of N-(4-fluorophenyl)-N'-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]oxamide (CID 135814020) is N-(4-fluorophenyl)-N'-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]oxamide.
What is the SMILES notation for N-(4-fluorophenyl)-N'-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]oxamide?
The canonical SMILES for N-(4-fluorophenyl)-N'-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]oxamide is O=C(N/N=C\c1ccc(O)c([N+](=O)[O-])c1)C(=O)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-N'-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]oxamide?
The InChIKey is BXRJENHPVDWLQS-IUXPMGMMSA-N. The full InChI is InChI=1S/C15H11FN4O5/c16-10-2-4-11(5-3-10)18-14(22)15(23)19-17-8-9-1-6-13(21)12(7-9)20(24)25/h1-8,21H,(H,18,22)(H,19,23)/b17-8-.
What are the key properties of N-(4-fluorophenyl)-N'-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]oxamide?
N-(4-fluorophenyl)-N'-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]oxamide has a molecular weight of 346.27 g/mol, XLogP of 1.53, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-N'-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]oxamide is sourced from PubChem (CID 135814020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).