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

C15H11FN4O4 — CID 4187128

IUPACN-(4-fluorophenyl)-N'-[(4-nitrophenyl)methylideneamino]oxamide
SMILESO=C(NN=Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C15H11FN4O4/c16-11-3-5-12(6-4-11)18-14(21)15(22)19-17-9-10-1-7-13(8-2-10)20(23)24/h1-9H,(H,18,21)(H,19,22)
InChIKeyNJINAUVDSZEDHH-UHFFFAOYSA-N
MW330.28 g/mol
LogP1.82
Rot. Bonds4

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

N-(4-fluorophenyl)-N'-[(4-nitrophenyl)methylideneamino]oxamide (PubChem CID 4187128) has the molecular formula C15H11FN4O4 and a molecular weight of 330.28 g/mol. Its IUPAC name is N-(4-fluorophenyl)-N'-[(4-nitrophenyl)methylideneamino]oxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-N'-[(4-nitrophenyl)methylideneamino]oxamide
PubChem CID4187128
Molecular FormulaC15H11FN4O4
Molecular Weight330.28 g/mol
Exact Mass330.08
IUPAC NameN-(4-fluorophenyl)-N'-[(4-nitrophenyl)methylideneamino]oxamide
SMILESO=C(NN=Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C15H11FN4O4/c16-11-3-5-12(6-4-11)18-14(21)15(22)19-17-9-10-1-7-13(8-2-10)20(23)24/h1-9H,(H,18,21)(H,19,22)
InChIKeyNJINAUVDSZEDHH-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,N'-bis[(Z)-(4-nitrophenyl)methylideneamino]oxamide
CID 6163815
N-(4-carbamoylphenyl)-N'-[(E)-(4-nitrophenyl)methylideneamino]oxamide
CID 19661491
N-(4-ethoxyphenyl)-N'-[(Z)-(4-nitrophenyl)methylideneamino]oxamide
CID 6187350
N-(4-fluorophenyl)-N'-[(Z)-pyridin-4-ylmethylideneamino]oxamide
CID 6019949
N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-N'-[(4-nitrophenyl)methylideneamino]oxamide
CID 4091193
N-(3-fluorophenyl)-N'-[(3-nitrophenyl)methylideneamino]oxamide
CID 5189069
N'-[(Z)-(4-fluorophenyl)methylideneamino]-N-methyloxamide
CID 94844116
2-cyano-3-(4-fluorophenyl)-N-(4-nitrophenyl)prop-2-enamide
CID 3134707
N'-[(Z)-(2-chlorophenyl)methylideneamino]-N-(4-nitrophenyl)oxamide
CID 94833568
N-(3,4-dichlorophenyl)-N'-[(4-fluorophenyl)methylideneamino]oxamide
CID 2063705
1-[(E)-(4-chlorophenyl)methylideneamino]-3-(4-nitrophenyl)urea
CID 10543618
N-(4-fluorophenyl)-N'-[[4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]butanediamide
CID 3635114

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-N'-[(4-nitrophenyl)methylideneamino]oxamide?
The IUPAC name of N-(4-fluorophenyl)-N'-[(4-nitrophenyl)methylideneamino]oxamide (CID 4187128) is N-(4-fluorophenyl)-N'-[(4-nitrophenyl)methylideneamino]oxamide.
What is the SMILES notation for N-(4-fluorophenyl)-N'-[(4-nitrophenyl)methylideneamino]oxamide?
The canonical SMILES for N-(4-fluorophenyl)-N'-[(4-nitrophenyl)methylideneamino]oxamide is O=C(NN=Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-N'-[(4-nitrophenyl)methylideneamino]oxamide?
The InChIKey is NJINAUVDSZEDHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN4O4/c16-11-3-5-12(6-4-11)18-14(21)15(22)19-17-9-10-1-7-13(8-2-10)20(23)24/h1-9H,(H,18,21)(H,19,22).
What are the key properties of N-(4-fluorophenyl)-N'-[(4-nitrophenyl)methylideneamino]oxamide?
N-(4-fluorophenyl)-N'-[(4-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-(4-fluorophenyl)-N'-[(4-nitrophenyl)methylideneamino]oxamide is sourced from PubChem (CID 4187128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).