N-(3,4-dimethylphenyl)-N'-[(2-fluorophenyl)methylideneamino]oxamide

C17H16FN3O2 — CID 3669810

IUPACN-(3,4-dimethylphenyl)-N'-[(2-fluorophenyl)methylideneamino]oxamide
SMILESCc1ccc(NC(=O)C(=O)NN=Cc2ccccc2F)cc1C
InChIInChI=1S/C17H16FN3O2/c1-11-7-8-14(9-12(11)2)20-16(22)17(23)21-19-10-13-5-3-4-6-15(13)18/h3-10H,1-2H3,(H,20,22)(H,21,23)
InChIKeyVPKDKQAJMLQGLD-UHFFFAOYSA-N
MW313.33 g/mol
LogP2.53
Rot. Bonds3

About N-(3,4-dimethylphenyl)-N'-[(2-fluorophenyl)methylideneamino]oxamide

N-(3,4-dimethylphenyl)-N'-[(2-fluorophenyl)methylideneamino]oxamide (PubChem CID 3669810) has the molecular formula C17H16FN3O2 and a molecular weight of 313.33 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-N'-[(2-fluorophenyl)methylideneamino]oxamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-N'-[(2-fluorophenyl)methylideneamino]oxamide
PubChem CID3669810
Molecular FormulaC17H16FN3O2
Molecular Weight313.33 g/mol
Exact Mass313.12
IUPAC NameN-(3,4-dimethylphenyl)-N'-[(2-fluorophenyl)methylideneamino]oxamide
SMILESCc1ccc(NC(=O)C(=O)NN=Cc2ccccc2F)cc1C
InChIInChI=1S/C17H16FN3O2/c1-11-7-8-14(9-12(11)2)20-16(22)17(23)21-19-10-13-5-3-4-6-15(13)18/h3-10H,1-2H3,(H,20,22)(H,21,23)
InChIKeyVPKDKQAJMLQGLD-UHFFFAOYSA-N
XLogP2.53
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(3,4-dimethylphenyl)-N'-[(Z)-[2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]oxamide
CID 8902607
N-[(E)-(2-fluorophenyl)methylideneamino]-3,4-dimethylaniline
CID 110504963
N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-[(Z)-(2-fluorophenyl)methylideneamino]oxamide
CID 94846404
N-(4-cyanophenyl)-N'-[(E)-(2-fluorophenyl)methylideneamino]oxamide
CID 19659771
N-(2-fluorophenyl)-N'-[(Z)-(2-methylphenyl)methylideneamino]oxamide
CID 8898803
N-(3-chloro-4-methylphenyl)-N'-[(Z)-(2-hydroxyphenyl)methylideneamino]oxamide
CID 136909047
N'-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-N-(3,4-dimethylphenyl)oxamide
CID 136672579
N,N'-bis(3,4-dimethylphenyl)oxamide
CID 3278038
N'-[(Z)-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-N-(3,4-dimethylphenyl)oxamide
CID 94836814
N-(4-bromophenyl)-N'-[(2-methylphenyl)methylideneamino]oxamide
CID 3672050
N-(3,4-dimethylphenyl)-N'-[(2-hydroxyphenyl)methylideneamino]propanediamide
CID 4554672
N'-[(Z)-[1-(3,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-N-phenyloxamide
CID 94836782

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-N'-[(2-fluorophenyl)methylideneamino]oxamide?
The IUPAC name of N-(3,4-dimethylphenyl)-N'-[(2-fluorophenyl)methylideneamino]oxamide (CID 3669810) is N-(3,4-dimethylphenyl)-N'-[(2-fluorophenyl)methylideneamino]oxamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-N'-[(2-fluorophenyl)methylideneamino]oxamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-N'-[(2-fluorophenyl)methylideneamino]oxamide is Cc1ccc(NC(=O)C(=O)NN=Cc2ccccc2F)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-N'-[(2-fluorophenyl)methylideneamino]oxamide?
The InChIKey is VPKDKQAJMLQGLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O2/c1-11-7-8-14(9-12(11)2)20-16(22)17(23)21-19-10-13-5-3-4-6-15(13)18/h3-10H,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N-(3,4-dimethylphenyl)-N'-[(2-fluorophenyl)methylideneamino]oxamide?
N-(3,4-dimethylphenyl)-N'-[(2-fluorophenyl)methylideneamino]oxamide has a molecular weight of 313.33 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-N'-[(2-fluorophenyl)methylideneamino]oxamide is sourced from PubChem (CID 3669810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).