2-(2,4-dimethylphenoxy)-N-[(E)-1-(4-fluorophenyl)ethylideneamino]acetamide

C18H19FN2O2 — CID 92847264

IUPAC2-(2,4-dimethylphenoxy)-N-[(E)-1-(4-fluorophenyl)ethylideneamino]acetamide
SMILESC/C(=N\NC(=O)COc1ccc(C)cc1C)c1ccc(F)cc1
InChIInChI=1S/C18H19FN2O2/c1-12-4-9-17(13(2)10-12)23-11-18(22)21-20-14(3)15-5-7-16(19)8-6-15/h4-10H,11H2,1-3H3,(H,21,22)/b20-14+
InChIKeyHUKVVMAGLGCNKI-XSFVSMFZSA-N
MW314.36 g/mol
LogP3.36
Rot. Bonds5

About 2-(2,4-dimethylphenoxy)-N-[(E)-1-(4-fluorophenyl)ethylideneamino]acetamide

2-(2,4-dimethylphenoxy)-N-[(E)-1-(4-fluorophenyl)ethylideneamino]acetamide (PubChem CID 92847264) has the molecular formula C18H19FN2O2 and a molecular weight of 314.36 g/mol. Its IUPAC name is 2-(2,4-dimethylphenoxy)-N-[(E)-1-(4-fluorophenyl)ethylideneamino]acetamide.

Molecular Properties

Compound Name2-(2,4-dimethylphenoxy)-N-[(E)-1-(4-fluorophenyl)ethylideneamino]acetamide
PubChem CID92847264
Molecular FormulaC18H19FN2O2
Molecular Weight314.36 g/mol
Exact Mass314.14
IUPAC Name2-(2,4-dimethylphenoxy)-N-[(E)-1-(4-fluorophenyl)ethylideneamino]acetamide
SMILESC/C(=N\NC(=O)COc1ccc(C)cc1C)c1ccc(F)cc1
InChIInChI=1S/C18H19FN2O2/c1-12-4-9-17(13(2)10-12)23-11-18(22)21-20-14(3)15-5-7-16(19)8-6-15/h4-10H,11H2,1-3H3,(H,21,22)/b20-14+
InChIKeyHUKVVMAGLGCNKI-XSFVSMFZSA-N
XLogP3.36
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 53.36
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

2-(2,6-dimethylphenoxy)-N-[1-(4-fluorophenyl)ethylideneamino]acetamide
CID 763872
2-(2,6-dibromo-4-methylphenoxy)-N-[(Z)-1-(4-fluorophenyl)ethylideneamino]acetamide
CID 6504950
2-(2,5-dimethylphenoxy)-N-(1-phenylethylideneamino)acetamide
CID 958391
2-(2,5-dimethylphenoxy)-N-[1-(4-methoxyphenyl)ethylideneamino]acetamide
CID 921075
2-(4-bromo-2-methylphenoxy)-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]acetamide
CID 135625886
2-(2-bromo-4-methylphenoxy)-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]acetamide
CID 6123669
N-[(E)-1-(4-aminophenyl)ethylideneamino]-2-(2-methylphenoxy)acetamide
CID 5428196
2-(3-methylphenoxy)-N-[1-(4-methylphenyl)ethylideneamino]acetamide
CID 968545
N-[1-(3,4-dimethylphenyl)ethylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 3986892
N-[1-(4-chlorophenyl)ethylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 3406819
2-(2,5-dimethylphenoxy)-N-[1-(3,4,5-trimethoxyphenyl)ethylideneamino]acetamide
CID 5015848
2-(4-chloro-2-methylphenoxy)-N-[1-(3,4-dimethoxyphenyl)ethylideneamino]acetamide
CID 5050963

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenoxy)-N-[(E)-1-(4-fluorophenyl)ethylideneamino]acetamide?
The IUPAC name of 2-(2,4-dimethylphenoxy)-N-[(E)-1-(4-fluorophenyl)ethylideneamino]acetamide (CID 92847264) is 2-(2,4-dimethylphenoxy)-N-[(E)-1-(4-fluorophenyl)ethylideneamino]acetamide.
What is the SMILES notation for 2-(2,4-dimethylphenoxy)-N-[(E)-1-(4-fluorophenyl)ethylideneamino]acetamide?
The canonical SMILES for 2-(2,4-dimethylphenoxy)-N-[(E)-1-(4-fluorophenyl)ethylideneamino]acetamide is C/C(=N\NC(=O)COc1ccc(C)cc1C)c1ccc(F)cc1.
What is the InChIKey of 2-(2,4-dimethylphenoxy)-N-[(E)-1-(4-fluorophenyl)ethylideneamino]acetamide?
The InChIKey is HUKVVMAGLGCNKI-XSFVSMFZSA-N. The full InChI is InChI=1S/C18H19FN2O2/c1-12-4-9-17(13(2)10-12)23-11-18(22)21-20-14(3)15-5-7-16(19)8-6-15/h4-10H,11H2,1-3H3,(H,21,22)/b20-14+.
What are the key properties of 2-(2,4-dimethylphenoxy)-N-[(E)-1-(4-fluorophenyl)ethylideneamino]acetamide?
2-(2,4-dimethylphenoxy)-N-[(E)-1-(4-fluorophenyl)ethylideneamino]acetamide has a molecular weight of 314.36 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenoxy)-N-[(E)-1-(4-fluorophenyl)ethylideneamino]acetamide is sourced from PubChem (CID 92847264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).