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

C15H11FN4O4 — CID 5189069

IUPACN-(3-fluorophenyl)-N'-[(3-nitrophenyl)methylideneamino]oxamide
SMILESO=C(NN=Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(F)c1
InChIInChI=1S/C15H11FN4O4/c16-11-4-2-5-12(8-11)18-14(21)15(22)19-17-9-10-3-1-6-13(7-10)20(23)24/h1-9H,(H,18,21)(H,19,22)
InChIKeyCHMLGBLNOGTPJY-UHFFFAOYSA-N
MW330.28 g/mol
LogP1.82
Rot. Bonds4

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

N-(3-fluorophenyl)-N'-[(3-nitrophenyl)methylideneamino]oxamide (PubChem CID 5189069) has the molecular formula C15H11FN4O4 and a molecular weight of 330.28 g/mol. Its IUPAC name is N-(3-fluorophenyl)-N'-[(3-nitrophenyl)methylideneamino]oxamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-N'-[(3-nitrophenyl)methylideneamino]oxamide
PubChem CID5189069
Molecular FormulaC15H11FN4O4
Molecular Weight330.28 g/mol
Exact Mass330.08
IUPAC NameN-(3-fluorophenyl)-N'-[(3-nitrophenyl)methylideneamino]oxamide
SMILESO=C(NN=Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(F)c1
InChIInChI=1S/C15H11FN4O4/c16-11-4-2-5-12(8-11)18-14(21)15(22)19-17-9-10-3-1-6-13(7-10)20(23)24/h1-9H,(H,18,21)(H,19,22)
InChIKeyCHMLGBLNOGTPJY-UHFFFAOYSA-N
XLogP1.82
TPSA113.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.28
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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

N-(3-chlorophenyl)-N'-[(3-nitrophenyl)methylideneamino]oxamide
CID 606165
N'-(3-fluorophenyl)-N-(3-nitrophenyl)oxamide
CID 108513374
N-(2,6-dimethylphenyl)-N'-[(Z)-(3-nitrophenyl)methylideneamino]oxamide
CID 8898610
N-(4-ethoxyphenyl)-N'-[(3-nitrophenyl)methylideneamino]oxamide
CID 3528185
N'-[(Z)-(3-nitrophenyl)methylideneamino]-N-[2-(phenylcarbamoyl)phenyl]oxamide
CID 6010711
N-(3-fluorophenyl)-N'-[(4-iodophenyl)methylideneamino]oxamide
CID 4570799
1-(3-chlorophenyl)-3-[(3-nitrophenyl)methylideneamino]urea
CID 19168555
N-(4-fluorophenyl)-N'-[(4-nitrophenyl)methylideneamino]oxamide
CID 4187128
N-(2-ethylphenyl)-N'-[(3-nitrophenyl)methylideneamino]oxamide
CID 5050166
N'-[(Z)-(3-nitrophenyl)methylideneamino]-N-prop-2-enyloxamide
CID 40531263
N'-[[4-(dimethylamino)phenyl]methylideneamino]-N-(3-fluorophenyl)oxamide
CID 4218592
N-benzyl-N'-[(E)-(3-nitrophenyl)methylideneamino]oxamide
CID 46741725

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-N'-[(3-nitrophenyl)methylideneamino]oxamide?
The IUPAC name of N-(3-fluorophenyl)-N'-[(3-nitrophenyl)methylideneamino]oxamide (CID 5189069) is N-(3-fluorophenyl)-N'-[(3-nitrophenyl)methylideneamino]oxamide.
What is the SMILES notation for N-(3-fluorophenyl)-N'-[(3-nitrophenyl)methylideneamino]oxamide?
The canonical SMILES for N-(3-fluorophenyl)-N'-[(3-nitrophenyl)methylideneamino]oxamide is O=C(NN=Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(F)c1.
What is the InChIKey of N-(3-fluorophenyl)-N'-[(3-nitrophenyl)methylideneamino]oxamide?
The InChIKey is CHMLGBLNOGTPJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN4O4/c16-11-4-2-5-12(8-11)18-14(21)15(22)19-17-9-10-3-1-6-13(7-10)20(23)24/h1-9H,(H,18,21)(H,19,22).
What are the key properties of N-(3-fluorophenyl)-N'-[(3-nitrophenyl)methylideneamino]oxamide?
N-(3-fluorophenyl)-N'-[(3-nitrophenyl)methylideneamino]oxamide has a molecular weight of 330.28 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-N'-[(3-nitrophenyl)methylideneamino]oxamide is sourced from PubChem (CID 5189069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).