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

C16H11FN4O2 — CID 19659771

IUPACN-(4-cyanophenyl)-N'-[(E)-(2-fluorophenyl)methylideneamino]oxamide
SMILESN#Cc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2F)cc1
InChIInChI=1S/C16H11FN4O2/c17-14-4-2-1-3-12(14)10-19-21-16(23)15(22)20-13-7-5-11(9-18)6-8-13/h1-8,10H,(H,20,22)(H,21,23)/b19-10+
InChIKeyFMFLSWOVDMIABZ-VXLYETTFSA-N
MW310.29 g/mol
LogP1.79
Rot. Bonds3

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

N-(4-cyanophenyl)-N'-[(E)-(2-fluorophenyl)methylideneamino]oxamide (PubChem CID 19659771) has the molecular formula C16H11FN4O2 and a molecular weight of 310.29 g/mol. Its IUPAC name is N-(4-cyanophenyl)-N'-[(E)-(2-fluorophenyl)methylideneamino]oxamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-N'-[(E)-(2-fluorophenyl)methylideneamino]oxamide
PubChem CID19659771
Molecular FormulaC16H11FN4O2
Molecular Weight310.29 g/mol
Exact Mass310.09
IUPAC NameN-(4-cyanophenyl)-N'-[(E)-(2-fluorophenyl)methylideneamino]oxamide
SMILESN#Cc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2F)cc1
InChIInChI=1S/C16H11FN4O2/c17-14-4-2-1-3-12(14)10-19-21-16(23)15(22)20-13-7-5-11(9-18)6-8-13/h1-8,10H,(H,20,22)(H,21,23)/b19-10+
InChIKeyFMFLSWOVDMIABZ-VXLYETTFSA-N
XLogP1.79
TPSA94.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.29
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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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Related Compounds

N'-[(E)-benzylideneamino]-N-(4-cyanophenyl)oxamide
CID 19661465
N'-[(4-cyanophenyl)methylideneamino]-N-phenyloxamide
CID 3544444
N-(3,4-dimethylphenyl)-N'-[(2-fluorophenyl)methylideneamino]oxamide
CID 3669810
(E)-N-(4-cyanophenyl)-3-(2-fluorophenyl)prop-2-enamide
CID 26289833
N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-[(Z)-(2-fluorophenyl)methylideneamino]oxamide
CID 94846404
2-cyano-N-[(2-fluorophenyl)methylideneamino]acetamide
CID 3955883
N-(4-chlorophenyl)-N'-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]oxamide
CID 6079733
N-(4-bromophenyl)-N'-[(2-bromophenyl)methylideneamino]oxamide
CID 3506666
N-(2-fluorophenyl)-N'-[(Z)-(2-methylphenyl)methylideneamino]oxamide
CID 8898803
N-(4-cyanophenyl)-N'-[(E)-(3-phenylmethoxyphenyl)methylideneamino]oxamide
CID 19660375
N'-[(2-fluorophenyl)methylideneamino]-N-(2-phenylethyl)oxamide
CID 2248791
2-fluoro-N-[(2-fluorophenyl)methylideneamino]benzamide
CID 2593233

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-N'-[(E)-(2-fluorophenyl)methylideneamino]oxamide?
The IUPAC name of N-(4-cyanophenyl)-N'-[(E)-(2-fluorophenyl)methylideneamino]oxamide (CID 19659771) is N-(4-cyanophenyl)-N'-[(E)-(2-fluorophenyl)methylideneamino]oxamide.
What is the SMILES notation for N-(4-cyanophenyl)-N'-[(E)-(2-fluorophenyl)methylideneamino]oxamide?
The canonical SMILES for N-(4-cyanophenyl)-N'-[(E)-(2-fluorophenyl)methylideneamino]oxamide is N#Cc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2F)cc1.
What is the InChIKey of N-(4-cyanophenyl)-N'-[(E)-(2-fluorophenyl)methylideneamino]oxamide?
The InChIKey is FMFLSWOVDMIABZ-VXLYETTFSA-N. The full InChI is InChI=1S/C16H11FN4O2/c17-14-4-2-1-3-12(14)10-19-21-16(23)15(22)20-13-7-5-11(9-18)6-8-13/h1-8,10H,(H,20,22)(H,21,23)/b19-10+.
What are the key properties of N-(4-cyanophenyl)-N'-[(E)-(2-fluorophenyl)methylideneamino]oxamide?
N-(4-cyanophenyl)-N'-[(E)-(2-fluorophenyl)methylideneamino]oxamide has a molecular weight of 310.29 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-N'-[(E)-(2-fluorophenyl)methylideneamino]oxamide is sourced from PubChem (CID 19659771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).