2-(3,5-dimethylphenoxy)-N-[(E)-1-(5-fluoro-2-hydroxyphenyl)ethylideneamino]acetamide

C18H19FN2O3 — CID 135674748

IUPAC2-(3,5-dimethylphenoxy)-N-[(E)-1-(5-fluoro-2-hydroxyphenyl)ethylideneamino]acetamide
SMILESC/C(=N\NC(=O)COc1cc(C)cc(C)c1)c1cc(F)ccc1O
InChIInChI=1S/C18H19FN2O3/c1-11-6-12(2)8-15(7-11)24-10-18(23)21-20-13(3)16-9-14(19)4-5-17(16)22/h4-9,22H,10H2,1-3H3,(H,21,23)/b20-13+
InChIKeyAKPKSBKVFAYTLM-DEDYPNTBSA-N
MW330.36 g/mol
LogP3.07
Rot. Bonds5

About 2-(3,5-dimethylphenoxy)-N-[(E)-1-(5-fluoro-2-hydroxyphenyl)ethylideneamino]acetamide

2-(3,5-dimethylphenoxy)-N-[(E)-1-(5-fluoro-2-hydroxyphenyl)ethylideneamino]acetamide (PubChem CID 135674748) has the molecular formula C18H19FN2O3 and a molecular weight of 330.36 g/mol. Its IUPAC name is 2-(3,5-dimethylphenoxy)-N-[(E)-1-(5-fluoro-2-hydroxyphenyl)ethylideneamino]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethylphenoxy)-N-[(E)-1-(5-fluoro-2-hydroxyphenyl)ethylideneamino]acetamide
PubChem CID135674748
Molecular FormulaC18H19FN2O3
Molecular Weight330.36 g/mol
Exact Mass330.14
IUPAC Name2-(3,5-dimethylphenoxy)-N-[(E)-1-(5-fluoro-2-hydroxyphenyl)ethylideneamino]acetamide
SMILESC/C(=N\NC(=O)COc1cc(C)cc(C)c1)c1cc(F)ccc1O
InChIInChI=1S/C18H19FN2O3/c1-11-6-12(2)8-15(7-11)24-10-18(23)21-20-13(3)16-9-14(19)4-5-17(16)22/h4-9,22H,10H2,1-3H3,(H,21,23)/b20-13+
InChIKeyAKPKSBKVFAYTLM-DEDYPNTBSA-N
XLogP3.07
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 53.07
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-[(E)-1-(5-fluoro-2-hydroxyphenyl)ethylideneamino]-2-(3-methylphenoxy)acetamide
CID 135828355
2-(4-ethylphenoxy)-N-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]acetamide
CID 135575983
2-(4-bromophenoxy)-N-[(Z)-1-(2,5-difluorophenyl)ethylideneamino]acetamide
CID 9359015
N-[1-(5-fluoro-2-hydroxyphenyl)propylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 3988211
2-(4-ethylphenoxy)-N-[(E)-1-(5-fluoro-2-hydroxyphenyl)propylideneamino]acetamide
CID 135575981
N-[3-[(Z)-N-[[2-(3,5-dimethylphenoxy)acetyl]amino]-C-methylcarbonimidoyl]phenyl]-3-fluorobenzamide
CID 6022276
N-[1-(4-tert-butylphenyl)ethylideneamino]-2-(3,5-dimethylphenoxy)acetamide
CID 1154035
2-(3,5-dimethylphenoxy)-N-(1-pyridin-2-ylethylideneamino)acetamide
CID 4542749
2-(3-fluorophenoxy)-N-[(E)-1-(2-hydroxy-4-methoxyphenyl)ethylideneamino]acetamide
CID 135557679
N-[(Z)-1-(2,5-dimethylthiophen-3-yl)ethylideneamino]-2-(3-fluorophenoxy)acetamide
CID 9240333
N-[(Z)-1-(2,5-difluorophenyl)ethylideneamino]-2-(2-methoxyphenoxy)acetamide
CID 9315771
N-[1-(2-hydroxyphenyl)ethylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 914091

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenoxy)-N-[(E)-1-(5-fluoro-2-hydroxyphenyl)ethylideneamino]acetamide?
The IUPAC name of 2-(3,5-dimethylphenoxy)-N-[(E)-1-(5-fluoro-2-hydroxyphenyl)ethylideneamino]acetamide (CID 135674748) is 2-(3,5-dimethylphenoxy)-N-[(E)-1-(5-fluoro-2-hydroxyphenyl)ethylideneamino]acetamide.
What is the SMILES notation for 2-(3,5-dimethylphenoxy)-N-[(E)-1-(5-fluoro-2-hydroxyphenyl)ethylideneamino]acetamide?
The canonical SMILES for 2-(3,5-dimethylphenoxy)-N-[(E)-1-(5-fluoro-2-hydroxyphenyl)ethylideneamino]acetamide is C/C(=N\NC(=O)COc1cc(C)cc(C)c1)c1cc(F)ccc1O.
What is the InChIKey of 2-(3,5-dimethylphenoxy)-N-[(E)-1-(5-fluoro-2-hydroxyphenyl)ethylideneamino]acetamide?
The InChIKey is AKPKSBKVFAYTLM-DEDYPNTBSA-N. The full InChI is InChI=1S/C18H19FN2O3/c1-11-6-12(2)8-15(7-11)24-10-18(23)21-20-13(3)16-9-14(19)4-5-17(16)22/h4-9,22H,10H2,1-3H3,(H,21,23)/b20-13+.
What are the key properties of 2-(3,5-dimethylphenoxy)-N-[(E)-1-(5-fluoro-2-hydroxyphenyl)ethylideneamino]acetamide?
2-(3,5-dimethylphenoxy)-N-[(E)-1-(5-fluoro-2-hydroxyphenyl)ethylideneamino]acetamide has a molecular weight of 330.36 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenoxy)-N-[(E)-1-(5-fluoro-2-hydroxyphenyl)ethylideneamino]acetamide is sourced from PubChem (CID 135674748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).