2-(2,6-dimethylphenoxy)-N-[1-(4-fluorophenyl)ethylideneamino]acetamide

C18H19FN2O2 — CID 763872

IUPAC2-(2,6-dimethylphenoxy)-N-[1-(4-fluorophenyl)ethylideneamino]acetamide
SMILESCC(=NNC(=O)COc1c(C)cccc1C)c1ccc(F)cc1
InChIInChI=1S/C18H19FN2O2/c1-12-5-4-6-13(2)18(12)23-11-17(22)21-20-14(3)15-7-9-16(19)10-8-15/h4-10H,11H2,1-3H3,(H,21,22)
InChIKeyXDAJHOUJXBLJLQ-UHFFFAOYSA-N
MW314.36 g/mol
LogP3.36
Rot. Bonds5

About 2-(2,6-dimethylphenoxy)-N-[1-(4-fluorophenyl)ethylideneamino]acetamide

2-(2,6-dimethylphenoxy)-N-[1-(4-fluorophenyl)ethylideneamino]acetamide (PubChem CID 763872) has the molecular formula C18H19FN2O2 and a molecular weight of 314.36 g/mol. Its IUPAC name is 2-(2,6-dimethylphenoxy)-N-[1-(4-fluorophenyl)ethylideneamino]acetamide.

Molecular Properties

Compound Name2-(2,6-dimethylphenoxy)-N-[1-(4-fluorophenyl)ethylideneamino]acetamide
PubChem CID763872
Molecular FormulaC18H19FN2O2
Molecular Weight314.36 g/mol
Exact Mass314.14
IUPAC Name2-(2,6-dimethylphenoxy)-N-[1-(4-fluorophenyl)ethylideneamino]acetamide
SMILESCC(=NNC(=O)COc1c(C)cccc1C)c1ccc(F)cc1
InChIInChI=1S/C18H19FN2O2/c1-12-5-4-6-13(2)18(12)23-11-17(22)21-20-14(3)15-7-9-16(19)10-8-15/h4-10H,11H2,1-3H3,(H,21,22)
InChIKeyXDAJHOUJXBLJLQ-UHFFFAOYSA-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'}

Analyze 2-(2,6-dimethylphenoxy)-N-[1-(4-fluorophenyl)ethylideneamino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(4-chlorophenyl)ethylideneamino]-2-(2,6-dimethylphenoxy)acetamide
CID 909276
2-(2,6-dibromo-4-methylphenoxy)-N-[(Z)-1-(4-fluorophenyl)ethylideneamino]acetamide
CID 6504950
2-(2,4-dimethylphenoxy)-N-[(E)-1-(4-fluorophenyl)ethylideneamino]acetamide
CID 92847264
5-[(Z)-N-[[2-(2,6-dimethylphenoxy)acetyl]amino]-C-methylcarbonimidoyl]thiophene-2-carboxylic acid
CID 8860547
2-(2,6-dimethylphenoxy)-N-[(E)-1-(2,4-dimethyl-1H-pyrrol-3-yl)ethylideneamino]acetamide
CID 135710565
2-(2,6-dimethylphenoxy)-N-[(Z)-(4-fluorophenyl)methylideneamino]acetamide
CID 5403335
N-[(E)-1-(4-aminophenyl)ethylideneamino]-2-(2-methylphenoxy)acetamide
CID 5428196
2-(2,6-dimethylphenoxy)-N-(4-fluorophenyl)acetamide
CID 776559
N-[(Z)-1-(3,4-dimethylphenyl)ethylideneamino]-2-(3-fluorophenoxy)acetamide
CID 9241816
2-naphthalen-1-yloxy-N-[(Z)-1-phenylethylideneamino]acetamide
CID 5404956
2-[4-[(Z)-N-[[2-(3-fluorophenoxy)acetyl]amino]-C-methylcarbonimidoyl]phenoxy]acetic acid
CID 9240177
N,N'-bis[1-(4-fluorophenyl)ethylideneamino]octanediamide
CID 4172268

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylphenoxy)-N-[1-(4-fluorophenyl)ethylideneamino]acetamide?
The IUPAC name of 2-(2,6-dimethylphenoxy)-N-[1-(4-fluorophenyl)ethylideneamino]acetamide (CID 763872) is 2-(2,6-dimethylphenoxy)-N-[1-(4-fluorophenyl)ethylideneamino]acetamide.
What is the SMILES notation for 2-(2,6-dimethylphenoxy)-N-[1-(4-fluorophenyl)ethylideneamino]acetamide?
The canonical SMILES for 2-(2,6-dimethylphenoxy)-N-[1-(4-fluorophenyl)ethylideneamino]acetamide is CC(=NNC(=O)COc1c(C)cccc1C)c1ccc(F)cc1.
What is the InChIKey of 2-(2,6-dimethylphenoxy)-N-[1-(4-fluorophenyl)ethylideneamino]acetamide?
The InChIKey is XDAJHOUJXBLJLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O2/c1-12-5-4-6-13(2)18(12)23-11-17(22)21-20-14(3)15-7-9-16(19)10-8-15/h4-10H,11H2,1-3H3,(H,21,22).
What are the key properties of 2-(2,6-dimethylphenoxy)-N-[1-(4-fluorophenyl)ethylideneamino]acetamide?
2-(2,6-dimethylphenoxy)-N-[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-(2,6-dimethylphenoxy)-N-[1-(4-fluorophenyl)ethylideneamino]acetamide is sourced from PubChem (CID 763872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).