N-(3,4-dimethylphenyl)-2-[(Z)-(3-fluorophenyl)methylideneamino]oxyacetamide

C17H17FN2O2 — CID 7704309

IUPACN-(3,4-dimethylphenyl)-2-[(Z)-(3-fluorophenyl)methylideneamino]oxyacetamide
SMILESCc1ccc(NC(=O)CO/N=C\c2cccc(F)c2)cc1C
InChIInChI=1S/C17H17FN2O2/c1-12-6-7-16(8-13(12)2)20-17(21)11-22-19-10-14-4-3-5-15(18)9-14/h3-10H,11H2,1-2H3,(H,20,21)/b19-10-
InChIKeyIZYHRZCHLKMTSU-GRSHGNNSSA-N
MW300.33 g/mol
LogP3.43
Rot. Bonds5

About N-(3,4-dimethylphenyl)-2-[(Z)-(3-fluorophenyl)methylideneamino]oxyacetamide

N-(3,4-dimethylphenyl)-2-[(Z)-(3-fluorophenyl)methylideneamino]oxyacetamide (PubChem CID 7704309) has the molecular formula C17H17FN2O2 and a molecular weight of 300.33 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2-[(Z)-(3-fluorophenyl)methylideneamino]oxyacetamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2-[(Z)-(3-fluorophenyl)methylideneamino]oxyacetamide
PubChem CID7704309
Molecular FormulaC17H17FN2O2
Molecular Weight300.33 g/mol
Exact Mass300.13
IUPAC NameN-(3,4-dimethylphenyl)-2-[(Z)-(3-fluorophenyl)methylideneamino]oxyacetamide
SMILESCc1ccc(NC(=O)CO/N=C\c2cccc(F)c2)cc1C
InChIInChI=1S/C17H17FN2O2/c1-12-6-7-16(8-13(12)2)20-17(21)11-22-19-10-14-4-3-5-15(18)9-14/h3-10H,11H2,1-2H3,(H,20,21)/b19-10-
InChIKeyIZYHRZCHLKMTSU-GRSHGNNSSA-N
XLogP3.43
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.33
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-bromo-3-methylphenyl)-2-[(Z)-(3-fluorophenyl)methylideneamino]oxyacetamide
CID 7704359
2-[(Z)-(3-fluorophenyl)methylideneamino]oxy-N-(4-methylphenyl)acetamide
CID 7704346
N-(3,4-difluorophenyl)-2-[(Z)-(3-fluorophenyl)methylideneamino]oxyacetamide
CID 7704353
N-[4-(diethylsulfamoyl)phenyl]-2-[(Z)-(3-fluorophenyl)methylideneamino]oxyacetamide
CID 7704407
2-[(Z)-(4-chlorophenyl)methylideneamino]oxy-N-(3-fluorophenyl)acetamide
CID 7700971
2-[(Z)-(4-chlorophenyl)methylideneamino]oxy-N-(3-fluoro-4-methylphenyl)acetamide
CID 7700978
2-[(Z)-(4-ethoxyphenyl)methylideneamino]oxy-N-(3-fluorophenyl)acetamide
CID 7669824
2-[(Z)-(3-fluorophenyl)methylideneamino]oxy-N-(propylcarbamoyl)acetamide
CID 7704785
2-[(Z)-(3-fluorophenyl)methylideneamino]oxy-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 7704490
N-(4-fluorophenyl)-2-[(Z)-(3-nitrophenyl)methylideneamino]oxyacetamide
CID 7919493
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(Z)-(3-fluorophenyl)methylideneamino]oxyacetamide
CID 7704527
2-[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]oxy-N-(3-fluoro-4-methylphenyl)acetamide
CID 7663197

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-2-[(Z)-(3-fluorophenyl)methylideneamino]oxyacetamide?
The IUPAC name of N-(3,4-dimethylphenyl)-2-[(Z)-(3-fluorophenyl)methylideneamino]oxyacetamide (CID 7704309) is N-(3,4-dimethylphenyl)-2-[(Z)-(3-fluorophenyl)methylideneamino]oxyacetamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2-[(Z)-(3-fluorophenyl)methylideneamino]oxyacetamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-2-[(Z)-(3-fluorophenyl)methylideneamino]oxyacetamide is Cc1ccc(NC(=O)CO/N=C\c2cccc(F)c2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-2-[(Z)-(3-fluorophenyl)methylideneamino]oxyacetamide?
The InChIKey is IZYHRZCHLKMTSU-GRSHGNNSSA-N. The full InChI is InChI=1S/C17H17FN2O2/c1-12-6-7-16(8-13(12)2)20-17(21)11-22-19-10-14-4-3-5-15(18)9-14/h3-10H,11H2,1-2H3,(H,20,21)/b19-10-.
What are the key properties of N-(3,4-dimethylphenyl)-2-[(Z)-(3-fluorophenyl)methylideneamino]oxyacetamide?
N-(3,4-dimethylphenyl)-2-[(Z)-(3-fluorophenyl)methylideneamino]oxyacetamide has a molecular weight of 300.33 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-2-[(Z)-(3-fluorophenyl)methylideneamino]oxyacetamide is sourced from PubChem (CID 7704309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).