N-[(3-fluoro-4-methylphenyl)methyl]-2-[(E)-(2-methylphenyl)methylideneamino]oxyacetamide

C18H19FN2O2 — CID 24581795

IUPACN-[(3-fluoro-4-methylphenyl)methyl]-2-[(E)-(2-methylphenyl)methylideneamino]oxyacetamide
SMILESCc1ccc(CNC(=O)CO/N=C/c2ccccc2C)cc1F
InChIInChI=1S/C18H19FN2O2/c1-13-5-3-4-6-16(13)11-21-23-12-18(22)20-10-15-8-7-14(2)17(19)9-15/h3-9,11H,10,12H2,1-2H3,(H,20,22)/b21-11+
InChIKeyJEZRUNRUJWMNOV-SRZZPIQSSA-N
MW314.36 g/mol
LogP3.11
Rot. Bonds6

About N-[(3-fluoro-4-methylphenyl)methyl]-2-[(E)-(2-methylphenyl)methylideneamino]oxyacetamide

N-[(3-fluoro-4-methylphenyl)methyl]-2-[(E)-(2-methylphenyl)methylideneamino]oxyacetamide (PubChem CID 24581795) has the molecular formula C18H19FN2O2 and a molecular weight of 314.36 g/mol. Its IUPAC name is N-[(3-fluoro-4-methylphenyl)methyl]-2-[(E)-(2-methylphenyl)methylideneamino]oxyacetamide.

Molecular Properties

Compound NameN-[(3-fluoro-4-methylphenyl)methyl]-2-[(E)-(2-methylphenyl)methylideneamino]oxyacetamide
PubChem CID24581795
Molecular FormulaC18H19FN2O2
Molecular Weight314.36 g/mol
Exact Mass314.14
IUPAC NameN-[(3-fluoro-4-methylphenyl)methyl]-2-[(E)-(2-methylphenyl)methylideneamino]oxyacetamide
SMILESCc1ccc(CNC(=O)CO/N=C/c2ccccc2C)cc1F
InChIInChI=1S/C18H19FN2O2/c1-13-5-3-4-6-16(13)11-21-23-12-18(22)20-10-15-8-7-14(2)17(19)9-15/h3-9,11H,10,12H2,1-2H3,(H,20,22)/b21-11+
InChIKeyJEZRUNRUJWMNOV-SRZZPIQSSA-N
XLogP3.11
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 53.11
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-chlorophenyl)methyl]-2-[(Z)-(2-methylphenyl)methylideneamino]oxyacetamide
CID 7670051
N-benzyl-2-[(Z)-(2-fluorophenyl)methylideneamino]oxyacetamide
CID 7703253
N-[(2,4-dichlorophenyl)methyl]-2-[(Z)-(2-methylphenyl)methylideneamino]oxyacetamide
CID 7670318
N-[(3-fluoro-4-methylphenyl)methyl]-2-(2-fluorophenoxy)acetamide
CID 34315448
2-[(Z)-(2-bromophenyl)methylideneamino]oxy-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 7670810
N-[(3-fluoro-4-methylphenyl)methyl]-2-(2-propoxyphenoxy)acetamide
CID 24553271
2-[(Z)-(2-fluorophenyl)methylideneamino]oxy-N-[(2-methoxyphenyl)methyl]acetamide
CID 7703122
N-(3-ethylphenyl)-2-[(Z)-(2-methylphenyl)methylideneamino]oxyacetamide
CID 7670270
2-[(Z)-(2-methylphenyl)methylideneamino]oxy-N-naphthalen-2-ylacetamide
CID 7670176
N-[(3-fluoro-4-methylphenyl)methyl]-2-(methylamino)acetamide
CID 43388450
N-(3-bromophenyl)-2-[(Z)-(2-methylphenyl)methylideneamino]oxyacetamide
CID 7670074
2-[(Z)-(2-fluorophenyl)methylideneamino]oxy-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
CID 9371556

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-methylphenyl)methyl]-2-[(E)-(2-methylphenyl)methylideneamino]oxyacetamide?
The IUPAC name of N-[(3-fluoro-4-methylphenyl)methyl]-2-[(E)-(2-methylphenyl)methylideneamino]oxyacetamide (CID 24581795) is N-[(3-fluoro-4-methylphenyl)methyl]-2-[(E)-(2-methylphenyl)methylideneamino]oxyacetamide.
What is the SMILES notation for N-[(3-fluoro-4-methylphenyl)methyl]-2-[(E)-(2-methylphenyl)methylideneamino]oxyacetamide?
The canonical SMILES for N-[(3-fluoro-4-methylphenyl)methyl]-2-[(E)-(2-methylphenyl)methylideneamino]oxyacetamide is Cc1ccc(CNC(=O)CO/N=C/c2ccccc2C)cc1F.
What is the InChIKey of N-[(3-fluoro-4-methylphenyl)methyl]-2-[(E)-(2-methylphenyl)methylideneamino]oxyacetamide?
The InChIKey is JEZRUNRUJWMNOV-SRZZPIQSSA-N. The full InChI is InChI=1S/C18H19FN2O2/c1-13-5-3-4-6-16(13)11-21-23-12-18(22)20-10-15-8-7-14(2)17(19)9-15/h3-9,11H,10,12H2,1-2H3,(H,20,22)/b21-11+.
What are the key properties of N-[(3-fluoro-4-methylphenyl)methyl]-2-[(E)-(2-methylphenyl)methylideneamino]oxyacetamide?
N-[(3-fluoro-4-methylphenyl)methyl]-2-[(E)-(2-methylphenyl)methylideneamino]oxyacetamide has a molecular weight of 314.36 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-methylphenyl)methyl]-2-[(E)-(2-methylphenyl)methylideneamino]oxyacetamide is sourced from PubChem (CID 24581795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).