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

C17H16FN3O2 — CID 4642668

IUPACN-(2-ethylphenyl)-N'-[(4-fluorophenyl)methylideneamino]oxamide
SMILESCCc1ccccc1NC(=O)C(=O)NN=Cc1ccc(F)cc1
InChIInChI=1S/C17H16FN3O2/c1-2-13-5-3-4-6-15(13)20-16(22)17(23)21-19-11-12-7-9-14(18)10-8-12/h3-11H,2H2,1H3,(H,20,22)(H,21,23)
InChIKeyHEYSXACXAHOSIE-UHFFFAOYSA-N
MW313.33 g/mol
LogP2.48
Rot. Bonds4

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

N-(2-ethylphenyl)-N'-[(4-fluorophenyl)methylideneamino]oxamide (PubChem CID 4642668) has the molecular formula C17H16FN3O2 and a molecular weight of 313.33 g/mol. Its IUPAC name is N-(2-ethylphenyl)-N'-[(4-fluorophenyl)methylideneamino]oxamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-N'-[(4-fluorophenyl)methylideneamino]oxamide
PubChem CID4642668
Molecular FormulaC17H16FN3O2
Molecular Weight313.33 g/mol
Exact Mass313.12
IUPAC NameN-(2-ethylphenyl)-N'-[(4-fluorophenyl)methylideneamino]oxamide
SMILESCCc1ccccc1NC(=O)C(=O)NN=Cc1ccc(F)cc1
InChIInChI=1S/C17H16FN3O2/c1-2-13-5-3-4-6-15(13)20-16(22)17(23)21-19-11-12-7-9-14(18)10-8-12/h3-11H,2H2,1H3,(H,20,22)(H,21,23)
InChIKeyHEYSXACXAHOSIE-UHFFFAOYSA-N
XLogP2.48
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 52.48
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-(2-ethylphenyl)-N'-[(4-methoxyphenyl)methylideneamino]oxamide
CID 3318922
N'-[(4-fluorophenyl)methylideneamino]-N-(2-methoxyphenyl)oxamide
CID 3102438
N-(2-ethylphenyl)-N'-[(Z)-(4-propoxyphenyl)methylideneamino]oxamide
CID 8988931
N-(2-ethylphenyl)-N'-[(Z)-(2-methylphenyl)methylideneamino]oxamide
CID 8898860
N-(2-ethylphenyl)-N'-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]oxamide
CID 136864574
N'-[(Z)-(4-fluorophenyl)methylideneamino]-N-methyloxamide
CID 94844116
N'-[(Z)-(3-chloro-4-methoxyphenyl)methylideneamino]-N-(2-ethylphenyl)oxamide
CID 8900433
N'-[(E)-[4-[(2-chloro-4-fluorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-N-(2-ethylphenyl)oxamide
CID 19661177
N'-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-N-(2-ethylphenyl)oxamide
CID 8901090
N-(2-ethylphenyl)-N'-[(Z)-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]oxamide
CID 126267880
N-(2-ethylphenyl)-N'-[(3-nitrophenyl)methylideneamino]oxamide
CID 5050166
N'-[(Z)-[4-[2-(2-ethylanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-N-(2-fluorophenyl)oxamide
CID 126262196

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-N'-[(4-fluorophenyl)methylideneamino]oxamide?
The IUPAC name of N-(2-ethylphenyl)-N'-[(4-fluorophenyl)methylideneamino]oxamide (CID 4642668) is N-(2-ethylphenyl)-N'-[(4-fluorophenyl)methylideneamino]oxamide.
What is the SMILES notation for N-(2-ethylphenyl)-N'-[(4-fluorophenyl)methylideneamino]oxamide?
The canonical SMILES for N-(2-ethylphenyl)-N'-[(4-fluorophenyl)methylideneamino]oxamide is CCc1ccccc1NC(=O)C(=O)NN=Cc1ccc(F)cc1.
What is the InChIKey of N-(2-ethylphenyl)-N'-[(4-fluorophenyl)methylideneamino]oxamide?
The InChIKey is HEYSXACXAHOSIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O2/c1-2-13-5-3-4-6-15(13)20-16(22)17(23)21-19-11-12-7-9-14(18)10-8-12/h3-11H,2H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N-(2-ethylphenyl)-N'-[(4-fluorophenyl)methylideneamino]oxamide?
N-(2-ethylphenyl)-N'-[(4-fluorophenyl)methylideneamino]oxamide has a molecular weight of 313.33 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-N'-[(4-fluorophenyl)methylideneamino]oxamide is sourced from PubChem (CID 4642668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).