N'-[(4-fluorophenyl)methylideneamino]-N-(1-phenylethyl)oxamide

C17H16FN3O2 — CID 3105349

IUPACN'-[(4-fluorophenyl)methylideneamino]-N-(1-phenylethyl)oxamide
SMILESCC(NC(=O)C(=O)NN=Cc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C17H16FN3O2/c1-12(14-5-3-2-4-6-14)20-16(22)17(23)21-19-11-13-7-9-15(18)10-8-13/h2-12H,1H3,(H,20,22)(H,21,23)
InChIKeyHTQJSJBVNYSSPS-UHFFFAOYSA-N
MW313.33 g/mol
LogP2.15
Rot. Bonds4

About N'-[(4-fluorophenyl)methylideneamino]-N-(1-phenylethyl)oxamide

N'-[(4-fluorophenyl)methylideneamino]-N-(1-phenylethyl)oxamide (PubChem CID 3105349) has the molecular formula C17H16FN3O2 and a molecular weight of 313.33 g/mol. Its IUPAC name is N'-[(4-fluorophenyl)methylideneamino]-N-(1-phenylethyl)oxamide.

Molecular Properties

Compound NameN'-[(4-fluorophenyl)methylideneamino]-N-(1-phenylethyl)oxamide
PubChem CID3105349
Molecular FormulaC17H16FN3O2
Molecular Weight313.33 g/mol
Exact Mass313.12
IUPAC NameN'-[(4-fluorophenyl)methylideneamino]-N-(1-phenylethyl)oxamide
SMILESCC(NC(=O)C(=O)NN=Cc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C17H16FN3O2/c1-12(14-5-3-2-4-6-14)20-16(22)17(23)21-19-11-13-7-9-15(18)10-8-13/h2-12H,1H3,(H,20,22)(H,21,23)
InChIKeyHTQJSJBVNYSSPS-UHFFFAOYSA-N
XLogP2.15
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 ≤ 52.15
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'-[(Z)-(4-hydroxyphenyl)methylideneamino]-N-[(1S)-1-phenylethyl]oxamide
CID 136793174
N'-[(1R)-1-(4-fluorophenyl)ethyl]-N-[(1R)-1-phenylethyl]oxamide
CID 30405081
2-[4-[(Z)-[[2-oxo-2-[[(1S)-1-phenylethyl]amino]acetyl]hydrazinylidene]methyl]phenoxy]acetate
CID 8989780
N'-[(Z)-[4-[2-oxo-2-(propan-2-ylamino)ethoxy]phenyl]methylideneamino]-N-[(1S)-1-phenylethyl]oxamide
CID 94832391
N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-(1-phenylethyl)oxamide
CID 135699327
N'-[(Z)-(3,4-diethoxyphenyl)methylideneamino]-N-[(1S)-1-phenylethyl]oxamide
CID 8932047
N'-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]-N-[(1S)-1-phenylethyl]oxamide
CID 8900503
2-[(Z)-[[2-oxo-2-[[(1S)-1-phenylethyl]amino]acetyl]hydrazinylidene]methyl]benzoic acid
CID 94847399
N'-[(Z)-(4-fluorophenyl)methylideneamino]-N-methyloxamide
CID 94844116
N'-[(Z)-anthracen-9-ylmethylideneamino]-N-[(1R)-1-phenylethyl]oxamide
CID 7038993
N'-[(E)-1H-indol-3-ylmethylideneamino]-N-[(1R)-1-phenylethyl]oxamide
CID 135814059
N'-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-N-[(1R)-1-phenylethyl]oxamide
CID 8901068

Frequently Asked Questions

What is the IUPAC name of N'-[(4-fluorophenyl)methylideneamino]-N-(1-phenylethyl)oxamide?
The IUPAC name of N'-[(4-fluorophenyl)methylideneamino]-N-(1-phenylethyl)oxamide (CID 3105349) is N'-[(4-fluorophenyl)methylideneamino]-N-(1-phenylethyl)oxamide.
What is the SMILES notation for N'-[(4-fluorophenyl)methylideneamino]-N-(1-phenylethyl)oxamide?
The canonical SMILES for N'-[(4-fluorophenyl)methylideneamino]-N-(1-phenylethyl)oxamide is CC(NC(=O)C(=O)NN=Cc1ccc(F)cc1)c1ccccc1.
What is the InChIKey of N'-[(4-fluorophenyl)methylideneamino]-N-(1-phenylethyl)oxamide?
The InChIKey is HTQJSJBVNYSSPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O2/c1-12(14-5-3-2-4-6-14)20-16(22)17(23)21-19-11-13-7-9-15(18)10-8-13/h2-12H,1H3,(H,20,22)(H,21,23).
What are the key properties of N'-[(4-fluorophenyl)methylideneamino]-N-(1-phenylethyl)oxamide?
N'-[(4-fluorophenyl)methylideneamino]-N-(1-phenylethyl)oxamide has a molecular weight of 313.33 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-fluorophenyl)methylideneamino]-N-(1-phenylethyl)oxamide is sourced from PubChem (CID 3105349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).