N-(4-fluorophenyl)-N'-[(E)-(2-hydroxyphenyl)methylideneamino]oxamide

C15H12FN3O3 — CID 135452595

IUPACN-(4-fluorophenyl)-N'-[(E)-(2-hydroxyphenyl)methylideneamino]oxamide
SMILESO=C(N/N=C/c1ccccc1O)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C15H12FN3O3/c16-11-5-7-12(8-6-11)18-14(21)15(22)19-17-9-10-3-1-2-4-13(10)20/h1-9,20H,(H,18,21)(H,19,22)/b17-9+
InChIKeyQLSHZGQJRNOEGU-RQZCQDPDSA-N
MW301.28 g/mol
LogP1.62
Rot. Bonds3

About N-(4-fluorophenyl)-N'-[(E)-(2-hydroxyphenyl)methylideneamino]oxamide

N-(4-fluorophenyl)-N'-[(E)-(2-hydroxyphenyl)methylideneamino]oxamide (PubChem CID 135452595) has the molecular formula C15H12FN3O3 and a molecular weight of 301.28 g/mol. Its IUPAC name is N-(4-fluorophenyl)-N'-[(E)-(2-hydroxyphenyl)methylideneamino]oxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-N'-[(E)-(2-hydroxyphenyl)methylideneamino]oxamide
PubChem CID135452595
Molecular FormulaC15H12FN3O3
Molecular Weight301.28 g/mol
Exact Mass301.09
IUPAC NameN-(4-fluorophenyl)-N'-[(E)-(2-hydroxyphenyl)methylideneamino]oxamide
SMILESO=C(N/N=C/c1ccccc1O)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C15H12FN3O3/c16-11-5-7-12(8-6-11)18-14(21)15(22)19-17-9-10-3-1-2-4-13(10)20/h1-9,20H,(H,18,21)(H,19,22)/b17-9+
InChIKeyQLSHZGQJRNOEGU-RQZCQDPDSA-N
XLogP1.62
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.28
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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'-[(E)-(2-hydroxyphenyl)methylideneamino]oxamide?
The IUPAC name of N-(4-fluorophenyl)-N'-[(E)-(2-hydroxyphenyl)methylideneamino]oxamide (CID 135452595) is N-(4-fluorophenyl)-N'-[(E)-(2-hydroxyphenyl)methylideneamino]oxamide.
What is the SMILES notation for N-(4-fluorophenyl)-N'-[(E)-(2-hydroxyphenyl)methylideneamino]oxamide?
The canonical SMILES for N-(4-fluorophenyl)-N'-[(E)-(2-hydroxyphenyl)methylideneamino]oxamide is O=C(N/N=C/c1ccccc1O)C(=O)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-N'-[(E)-(2-hydroxyphenyl)methylideneamino]oxamide?
The InChIKey is QLSHZGQJRNOEGU-RQZCQDPDSA-N. The full InChI is InChI=1S/C15H12FN3O3/c16-11-5-7-12(8-6-11)18-14(21)15(22)19-17-9-10-3-1-2-4-13(10)20/h1-9,20H,(H,18,21)(H,19,22)/b17-9+.
What are the key properties of N-(4-fluorophenyl)-N'-[(E)-(2-hydroxyphenyl)methylideneamino]oxamide?
N-(4-fluorophenyl)-N'-[(E)-(2-hydroxyphenyl)methylideneamino]oxamide has a molecular weight of 301.28 g/mol, XLogP of 1.62, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-N'-[(E)-(2-hydroxyphenyl)methylideneamino]oxamide is sourced from PubChem (CID 135452595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).