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

C17H17FN2O3 — CID 135828355

IUPACN-[(E)-1-(5-fluoro-2-hydroxyphenyl)ethylideneamino]-2-(3-methylphenoxy)acetamide
SMILESC/C(=N\NC(=O)COc1cccc(C)c1)c1cc(F)ccc1O
InChIInChI=1S/C17H17FN2O3/c1-11-4-3-5-14(8-11)23-10-17(22)20-19-12(2)15-9-13(18)6-7-16(15)21/h3-9,21H,10H2,1-2H3,(H,20,22)/b19-12+
InChIKeyLSACKZZBZCPJQM-XDHOZWIPSA-N
MW316.33 g/mol
LogP2.76
Rot. Bonds5

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

N-[(E)-1-(5-fluoro-2-hydroxyphenyl)ethylideneamino]-2-(3-methylphenoxy)acetamide (PubChem CID 135828355) has the molecular formula C17H17FN2O3 and a molecular weight of 316.33 g/mol. Its IUPAC name is N-[(E)-1-(5-fluoro-2-hydroxyphenyl)ethylideneamino]-2-(3-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(E)-1-(5-fluoro-2-hydroxyphenyl)ethylideneamino]-2-(3-methylphenoxy)acetamide
PubChem CID135828355
Molecular FormulaC17H17FN2O3
Molecular Weight316.33 g/mol
Exact Mass316.12
IUPAC NameN-[(E)-1-(5-fluoro-2-hydroxyphenyl)ethylideneamino]-2-(3-methylphenoxy)acetamide
SMILESC/C(=N\NC(=O)COc1cccc(C)c1)c1cc(F)ccc1O
InChIInChI=1S/C17H17FN2O3/c1-11-4-3-5-14(8-11)23-10-17(22)20-19-12(2)15-9-13(18)6-7-16(15)21/h3-9,21H,10H2,1-2H3,(H,20,22)/b19-12+
InChIKeyLSACKZZBZCPJQM-XDHOZWIPSA-N
XLogP2.76
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.33
LogP ≤ 52.76
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

2-(3,5-dimethylphenoxy)-N-[(E)-1-(5-fluoro-2-hydroxyphenyl)ethylideneamino]acetamide
CID 135674748
N-[(Z)-1-(2-methoxyphenyl)ethylideneamino]-2-(3-methylphenoxy)acetamide
CID 7985057
N-[1-(4-hydroxyphenyl)ethylideneamino]-2-(3-methylphenoxy)acetamide
CID 969299
2-(3-methylphenoxy)-N-[1-(4-methylphenyl)ethylideneamino]acetamide
CID 968545
2-(4-ethylphenoxy)-N-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]acetamide
CID 135575983
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-(4-tert-butylphenyl)ethylideneamino]-2-(3-methylphenoxy)acetamide
CID 6938758
N-[(Z)-1-(3,4-dimethylphenyl)ethylideneamino]-2-(3-fluorophenoxy)acetamide
CID 9241816
N-[(E)-1-(3-methylphenyl)ethylideneamino]-2-phenoxyacetamide
CID 19685184
2-(4-ethylphenoxy)-N-[(E)-1-(5-fluoro-2-hydroxyphenyl)propylideneamino]acetamide
CID 135575981
N-[1-(5-fluoro-2-hydroxyphenyl)propylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 3988211

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(5-fluoro-2-hydroxyphenyl)ethylideneamino]-2-(3-methylphenoxy)acetamide?
The IUPAC name of N-[(E)-1-(5-fluoro-2-hydroxyphenyl)ethylideneamino]-2-(3-methylphenoxy)acetamide (CID 135828355) is N-[(E)-1-(5-fluoro-2-hydroxyphenyl)ethylideneamino]-2-(3-methylphenoxy)acetamide.
What is the SMILES notation for N-[(E)-1-(5-fluoro-2-hydroxyphenyl)ethylideneamino]-2-(3-methylphenoxy)acetamide?
The canonical SMILES for N-[(E)-1-(5-fluoro-2-hydroxyphenyl)ethylideneamino]-2-(3-methylphenoxy)acetamide is C/C(=N\NC(=O)COc1cccc(C)c1)c1cc(F)ccc1O.
What is the InChIKey of N-[(E)-1-(5-fluoro-2-hydroxyphenyl)ethylideneamino]-2-(3-methylphenoxy)acetamide?
The InChIKey is LSACKZZBZCPJQM-XDHOZWIPSA-N. The full InChI is InChI=1S/C17H17FN2O3/c1-11-4-3-5-14(8-11)23-10-17(22)20-19-12(2)15-9-13(18)6-7-16(15)21/h3-9,21H,10H2,1-2H3,(H,20,22)/b19-12+.
What are the key properties of N-[(E)-1-(5-fluoro-2-hydroxyphenyl)ethylideneamino]-2-(3-methylphenoxy)acetamide?
N-[(E)-1-(5-fluoro-2-hydroxyphenyl)ethylideneamino]-2-(3-methylphenoxy)acetamide has a molecular weight of 316.33 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(5-fluoro-2-hydroxyphenyl)ethylideneamino]-2-(3-methylphenoxy)acetamide is sourced from PubChem (CID 135828355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).