2-(2,4-dimethylphenoxy)-N-[(3-fluorophenyl)methylideneamino]acetamide

C17H17FN2O2 — CID 4981135

IUPAC2-(2,4-dimethylphenoxy)-N-[(3-fluorophenyl)methylideneamino]acetamide
SMILESCc1ccc(OCC(=O)NN=Cc2cccc(F)c2)c(C)c1
InChIInChI=1S/C17H17FN2O2/c1-12-6-7-16(13(2)8-12)22-11-17(21)20-19-10-14-4-3-5-15(18)9-14/h3-10H,11H2,1-2H3,(H,20,21)
InChIKeyWAFJCZOJCXSPLC-UHFFFAOYSA-N
MW300.33 g/mol
LogP2.97
Rot. Bonds5

About 2-(2,4-dimethylphenoxy)-N-[(3-fluorophenyl)methylideneamino]acetamide

2-(2,4-dimethylphenoxy)-N-[(3-fluorophenyl)methylideneamino]acetamide (PubChem CID 4981135) has the molecular formula C17H17FN2O2 and a molecular weight of 300.33 g/mol. Its IUPAC name is 2-(2,4-dimethylphenoxy)-N-[(3-fluorophenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(2,4-dimethylphenoxy)-N-[(3-fluorophenyl)methylideneamino]acetamide
PubChem CID4981135
Molecular FormulaC17H17FN2O2
Molecular Weight300.33 g/mol
Exact Mass300.13
IUPAC Name2-(2,4-dimethylphenoxy)-N-[(3-fluorophenyl)methylideneamino]acetamide
SMILESCc1ccc(OCC(=O)NN=Cc2cccc(F)c2)c(C)c1
InChIInChI=1S/C17H17FN2O2/c1-12-6-7-16(13(2)8-12)22-11-17(21)20-19-10-14-4-3-5-15(18)9-14/h3-10H,11H2,1-2H3,(H,20,21)
InChIKeyWAFJCZOJCXSPLC-UHFFFAOYSA-N
XLogP2.97
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 ≤ 52.97
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-(2,5-dimethylphenoxy)-N-[(E)-(3-hydroxyphenyl)methylideneamino]acetamide
CID 6911005
2-(2,4-dimethylphenoxy)-N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]acetamide
CID 135884298
2-(2,4-dimethylphenoxy)-N-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]acetamide
CID 17018810
2-(2,5-dichlorophenoxy)-N-[(E)-(3-fluorophenyl)methylideneamino]acetamide
CID 19189624
[3-[(Z)-[[2-(2,4-dimethylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] thiophene-2-carboxylate
CID 17018792
2-(2,4-dimethylphenoxy)-N-[(E)-(4-propoxyphenyl)methylideneamino]acetamide
CID 19189781
2-(2,4-dimethylphenoxy)-N-[(2-hydroxy-4-methylphenyl)methylideneamino]acetamide
CID 780702
2-(4-methylphenoxy)-N-[(3-methylphenyl)methylideneamino]acetamide
CID 968439
2-(2,4-dimethylphenoxy)-N-[(E)-(2-methoxyphenyl)methylideneamino]acetamide
CID 6891509
2-(2,4-dimethylphenoxy)-N-[(Z)-furan-2-ylmethylideneamino]acetamide
CID 6020779
[3-[[[2-(2,4-dimethylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 3-(furan-2-yl)prop-2-enoate
CID 71950797
2-[(E)-[[2-(2,4-dimethylphenoxy)acetyl]hydrazinylidene]methyl]benzoic acid
CID 19190263

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenoxy)-N-[(3-fluorophenyl)methylideneamino]acetamide?
The IUPAC name of 2-(2,4-dimethylphenoxy)-N-[(3-fluorophenyl)methylideneamino]acetamide (CID 4981135) is 2-(2,4-dimethylphenoxy)-N-[(3-fluorophenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(2,4-dimethylphenoxy)-N-[(3-fluorophenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(2,4-dimethylphenoxy)-N-[(3-fluorophenyl)methylideneamino]acetamide is Cc1ccc(OCC(=O)NN=Cc2cccc(F)c2)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenoxy)-N-[(3-fluorophenyl)methylideneamino]acetamide?
The InChIKey is WAFJCZOJCXSPLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O2/c1-12-6-7-16(13(2)8-12)22-11-17(21)20-19-10-14-4-3-5-15(18)9-14/h3-10H,11H2,1-2H3,(H,20,21).
What are the key properties of 2-(2,4-dimethylphenoxy)-N-[(3-fluorophenyl)methylideneamino]acetamide?
2-(2,4-dimethylphenoxy)-N-[(3-fluorophenyl)methylideneamino]acetamide has a molecular weight of 300.33 g/mol, XLogP of 2.97, 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-[(3-fluorophenyl)methylideneamino]acetamide is sourced from PubChem (CID 4981135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).