2-(4-ethylphenoxy)-N-[(E)-1-(5-fluoro-2-hydroxyphenyl)propylideneamino]acetamide

C19H21FN2O3 — CID 135575981

IUPAC2-(4-ethylphenoxy)-N-[(E)-1-(5-fluoro-2-hydroxyphenyl)propylideneamino]acetamide
SMILESCC/C(=N\NC(=O)COc1ccc(CC)cc1)c1cc(F)ccc1O
InChIInChI=1S/C19H21FN2O3/c1-3-13-5-8-15(9-6-13)25-12-19(24)22-21-17(4-2)16-11-14(20)7-10-18(16)23/h5-11,23H,3-4,12H2,1-2H3,(H,22,24)/b21-17+
InChIKeyNGBSSJUVEMRHOS-HEHNFIMWSA-N
MW344.39 g/mol
LogP3.40
Rot. Bonds7

About 2-(4-ethylphenoxy)-N-[(E)-1-(5-fluoro-2-hydroxyphenyl)propylideneamino]acetamide

2-(4-ethylphenoxy)-N-[(E)-1-(5-fluoro-2-hydroxyphenyl)propylideneamino]acetamide (PubChem CID 135575981) has the molecular formula C19H21FN2O3 and a molecular weight of 344.39 g/mol. Its IUPAC name is 2-(4-ethylphenoxy)-N-[(E)-1-(5-fluoro-2-hydroxyphenyl)propylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-ethylphenoxy)-N-[(E)-1-(5-fluoro-2-hydroxyphenyl)propylideneamino]acetamide
PubChem CID135575981
Molecular FormulaC19H21FN2O3
Molecular Weight344.39 g/mol
Exact Mass344.15
IUPAC Name2-(4-ethylphenoxy)-N-[(E)-1-(5-fluoro-2-hydroxyphenyl)propylideneamino]acetamide
SMILESCC/C(=N\NC(=O)COc1ccc(CC)cc1)c1cc(F)ccc1O
InChIInChI=1S/C19H21FN2O3/c1-3-13-5-8-15(9-6-13)25-12-19(24)22-21-17(4-2)16-11-14(20)7-10-18(16)23/h5-11,23H,3-4,12H2,1-2H3,(H,22,24)/b21-17+
InChIKeyNGBSSJUVEMRHOS-HEHNFIMWSA-N
XLogP3.40
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[1-(5-fluoro-2-hydroxyphenyl)propylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 3988211
4-ethyl-N-[(E)-1-(5-fluoro-2-hydroxyphenyl)propylideneamino]benzamide
CID 135673781
4-[(4-ethoxyphenoxy)methyl]-N-[(E)-1-(5-fluoro-2-hydroxyphenyl)propylideneamino]benzamide
CID 135613550
N-[(E)-1-(5-fluoro-2-hydroxyphenyl)propylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 135607411
2-(4-ethylphenoxy)-N-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]acetamide
CID 135575983
2-(3,5-dimethylphenoxy)-N-[(E)-1-(5-fluoro-2-hydroxyphenyl)ethylideneamino]acetamide
CID 135674748
N-[(E)-1-(5-fluoro-2-hydroxyphenyl)propylideneamino]cyclopropanecarboxamide
CID 135558237
N-[(E)-1-(5-fluoro-2-hydroxyphenyl)ethylideneamino]-2-(3-methylphenoxy)acetamide
CID 135828355
4-ethoxy-N-[(E)-1-(5-fluoro-2-hydroxyphenyl)propylideneamino]benzenesulfonamide
CID 135678808
4-tert-butyl-N-[(E)-1-(5-fluoro-2-hydroxyphenyl)propylideneamino]benzamide
CID 135614080
N-[(E)-1-(5-bromo-2-hydroxyphenyl)propylideneamino]-2-(2-methoxyphenoxy)acetamide
CID 135674764
2-(4-ethylphenoxy)-N-(1-phenylethylideneamino)acetamide
CID 905266

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenoxy)-N-[(E)-1-(5-fluoro-2-hydroxyphenyl)propylideneamino]acetamide?
The IUPAC name of 2-(4-ethylphenoxy)-N-[(E)-1-(5-fluoro-2-hydroxyphenyl)propylideneamino]acetamide (CID 135575981) is 2-(4-ethylphenoxy)-N-[(E)-1-(5-fluoro-2-hydroxyphenyl)propylideneamino]acetamide.
What is the SMILES notation for 2-(4-ethylphenoxy)-N-[(E)-1-(5-fluoro-2-hydroxyphenyl)propylideneamino]acetamide?
The canonical SMILES for 2-(4-ethylphenoxy)-N-[(E)-1-(5-fluoro-2-hydroxyphenyl)propylideneamino]acetamide is CC/C(=N\NC(=O)COc1ccc(CC)cc1)c1cc(F)ccc1O.
What is the InChIKey of 2-(4-ethylphenoxy)-N-[(E)-1-(5-fluoro-2-hydroxyphenyl)propylideneamino]acetamide?
The InChIKey is NGBSSJUVEMRHOS-HEHNFIMWSA-N. The full InChI is InChI=1S/C19H21FN2O3/c1-3-13-5-8-15(9-6-13)25-12-19(24)22-21-17(4-2)16-11-14(20)7-10-18(16)23/h5-11,23H,3-4,12H2,1-2H3,(H,22,24)/b21-17+.
What are the key properties of 2-(4-ethylphenoxy)-N-[(E)-1-(5-fluoro-2-hydroxyphenyl)propylideneamino]acetamide?
2-(4-ethylphenoxy)-N-[(E)-1-(5-fluoro-2-hydroxyphenyl)propylideneamino]acetamide has a molecular weight of 344.39 g/mol, XLogP of 3.40, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenoxy)-N-[(E)-1-(5-fluoro-2-hydroxyphenyl)propylideneamino]acetamide is sourced from PubChem (CID 135575981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).