N'-[(2-fluorophenyl)methylideneamino]-N-(2-phenylethyl)oxamide

C17H16FN3O2 — CID 2248791

IUPACN'-[(2-fluorophenyl)methylideneamino]-N-(2-phenylethyl)oxamide
SMILESO=C(NCCc1ccccc1)C(=O)NN=Cc1ccccc1F
InChIInChI=1S/C17H16FN3O2/c18-15-9-5-4-8-14(15)12-20-21-17(23)16(22)19-11-10-13-6-2-1-3-7-13/h1-9,12H,10-11H2,(H,19,22)(H,21,23)
InChIKeyPBWDKFBXTLLAMR-UHFFFAOYSA-N
MW313.33 g/mol
LogP1.63
Rot. Bonds5

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

N'-[(2-fluorophenyl)methylideneamino]-N-(2-phenylethyl)oxamide (PubChem CID 2248791) has the molecular formula C17H16FN3O2 and a molecular weight of 313.33 g/mol. Its IUPAC name is N'-[(2-fluorophenyl)methylideneamino]-N-(2-phenylethyl)oxamide.

Molecular Properties

Compound NameN'-[(2-fluorophenyl)methylideneamino]-N-(2-phenylethyl)oxamide
PubChem CID2248791
Molecular FormulaC17H16FN3O2
Molecular Weight313.33 g/mol
Exact Mass313.12
IUPAC NameN'-[(2-fluorophenyl)methylideneamino]-N-(2-phenylethyl)oxamide
SMILESO=C(NCCc1ccccc1)C(=O)NN=Cc1ccccc1F
InChIInChI=1S/C17H16FN3O2/c18-15-9-5-4-8-14(15)12-20-21-17(23)16(22)19-11-10-13-6-2-1-3-7-13/h1-9,12H,10-11H2,(H,19,22)(H,21,23)
InChIKeyPBWDKFBXTLLAMR-UHFFFAOYSA-N
XLogP1.63
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 51.63
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-(3,4-dimethoxyphenyl)ethyl]-N'-[(2-fluorophenyl)methylideneamino]oxamide
CID 2250985
N'-[(Z)-(2-fluorophenyl)methylideneamino]-N-(pyridin-4-ylmethyl)oxamide
CID 126191968
N'-[(E)-1H-indol-3-ylmethylideneamino]-N-(2-phenylethyl)oxamide
CID 135814036
N'-[(Z)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-N-(2-phenylethyl)oxamide
CID 8930542
N-(2-phenylethyl)-N'-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]oxamide
CID 133240925
N'-[2-(4-fluorophenyl)ethyl]-N-(2-phenylethyl)oxamide
CID 3117526
N'-[(Z)-(5-bromo-2-ethoxyphenyl)methylideneamino]-N-(2-phenylethyl)oxamide
CID 8931387
N-(2-phenylethyl)-N'-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]oxamide
CID 6260731
4-[2,5-dimethyl-3-[(Z)-[[2-oxo-2-(2-phenylethylamino)acetyl]hydrazinylidene]methyl]pyrrol-1-yl]benzoic acid
CID 133240938
4-ethoxy-3-[(Z)-[[2-oxo-2-(2-phenylethylamino)acetyl]hydrazinylidene]methyl]benzoate
CID 8898189
N-(3,4-dimethylphenyl)-N'-[(2-fluorophenyl)methylideneamino]oxamide
CID 3669810
N,N'-bis[(2-fluorophenyl)methylideneamino]heptanediamide
CID 4059659

Frequently Asked Questions

What is the IUPAC name of N'-[(2-fluorophenyl)methylideneamino]-N-(2-phenylethyl)oxamide?
The IUPAC name of N'-[(2-fluorophenyl)methylideneamino]-N-(2-phenylethyl)oxamide (CID 2248791) is N'-[(2-fluorophenyl)methylideneamino]-N-(2-phenylethyl)oxamide.
What is the SMILES notation for N'-[(2-fluorophenyl)methylideneamino]-N-(2-phenylethyl)oxamide?
The canonical SMILES for N'-[(2-fluorophenyl)methylideneamino]-N-(2-phenylethyl)oxamide is O=C(NCCc1ccccc1)C(=O)NN=Cc1ccccc1F.
What is the InChIKey of N'-[(2-fluorophenyl)methylideneamino]-N-(2-phenylethyl)oxamide?
The InChIKey is PBWDKFBXTLLAMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O2/c18-15-9-5-4-8-14(15)12-20-21-17(23)16(22)19-11-10-13-6-2-1-3-7-13/h1-9,12H,10-11H2,(H,19,22)(H,21,23).
What are the key properties of N'-[(2-fluorophenyl)methylideneamino]-N-(2-phenylethyl)oxamide?
N'-[(2-fluorophenyl)methylideneamino]-N-(2-phenylethyl)oxamide has a molecular weight of 313.33 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-fluorophenyl)methylideneamino]-N-(2-phenylethyl)oxamide is sourced from PubChem (CID 2248791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).