2-(3-fluorophenoxy)-N-[(E)-1-(2-hydroxy-4-methoxyphenyl)ethylideneamino]acetamide

C17H17FN2O4 — CID 135557679

IUPAC2-(3-fluorophenoxy)-N-[(E)-1-(2-hydroxy-4-methoxyphenyl)ethylideneamino]acetamide
SMILESCOc1ccc(/C(C)=N/NC(=O)COc2cccc(F)c2)c(O)c1
InChIInChI=1S/C17H17FN2O4/c1-11(15-7-6-13(23-2)9-16(15)21)19-20-17(22)10-24-14-5-3-4-12(18)8-14/h3-9,21H,10H2,1-2H3,(H,20,22)/b19-11+
InChIKeyCAYXYQAICGDWNW-YBFXNURJSA-N
MW332.33 g/mol
LogP2.46
Rot. Bonds6

About 2-(3-fluorophenoxy)-N-[(E)-1-(2-hydroxy-4-methoxyphenyl)ethylideneamino]acetamide

2-(3-fluorophenoxy)-N-[(E)-1-(2-hydroxy-4-methoxyphenyl)ethylideneamino]acetamide (PubChem CID 135557679) has the molecular formula C17H17FN2O4 and a molecular weight of 332.33 g/mol. Its IUPAC name is 2-(3-fluorophenoxy)-N-[(E)-1-(2-hydroxy-4-methoxyphenyl)ethylideneamino]acetamide.

Molecular Properties

Compound Name2-(3-fluorophenoxy)-N-[(E)-1-(2-hydroxy-4-methoxyphenyl)ethylideneamino]acetamide
PubChem CID135557679
Molecular FormulaC17H17FN2O4
Molecular Weight332.33 g/mol
Exact Mass332.12
IUPAC Name2-(3-fluorophenoxy)-N-[(E)-1-(2-hydroxy-4-methoxyphenyl)ethylideneamino]acetamide
SMILESCOc1ccc(/C(C)=N/NC(=O)COc2cccc(F)c2)c(O)c1
InChIInChI=1S/C17H17FN2O4/c1-11(15-7-6-13(23-2)9-16(15)21)19-20-17(22)10-24-14-5-3-4-12(18)8-14/h3-9,21H,10H2,1-2H3,(H,20,22)/b19-11+
InChIKeyCAYXYQAICGDWNW-YBFXNURJSA-N
XLogP2.46
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.33
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[(Z)-1-(2-hydroxy-4-methoxyphenyl)ethylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 136690202
N-[(Z)-1-(2,5-dimethylthiophen-3-yl)ethylideneamino]-2-(3-fluorophenoxy)acetamide
CID 9240333
N-[1-(2-hydroxyphenyl)ethylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 914091
N-[(E)-1-(5-fluoro-2-hydroxyphenyl)ethylideneamino]-2-(3-methylphenoxy)acetamide
CID 135828355
N-[(Z)-1-(2,4-dimethoxyphenyl)ethylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 6259144
2-[4-[(Z)-N-[[2-(3-fluorophenoxy)acetyl]amino]-C-methylcarbonimidoyl]phenoxy]acetic acid
CID 9240177
N-[(Z)-1-(2,4-dimethoxyphenyl)ethylideneamino]-2-(3,4-dimethylphenoxy)acetamide
CID 9316157
N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-2-(3,4-dimethylphenoxy)acetamide
CID 135569434
N-[(Z)-1-(3,4-difluorophenyl)ethylideneamino]-2-(3-fluorophenoxy)acetamide
CID 9240501
N-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]-2-(3-fluorophenoxy)acetamide
CID 9241955
N-[(E)-1-(2-hydroxy-4-methoxyphenyl)ethylideneamino]acetamide
CID 135767611
N-[(Z)-1-(3,4-dimethylphenyl)ethylideneamino]-2-(3-fluorophenoxy)acetamide
CID 9241816

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenoxy)-N-[(E)-1-(2-hydroxy-4-methoxyphenyl)ethylideneamino]acetamide?
The IUPAC name of 2-(3-fluorophenoxy)-N-[(E)-1-(2-hydroxy-4-methoxyphenyl)ethylideneamino]acetamide (CID 135557679) is 2-(3-fluorophenoxy)-N-[(E)-1-(2-hydroxy-4-methoxyphenyl)ethylideneamino]acetamide.
What is the SMILES notation for 2-(3-fluorophenoxy)-N-[(E)-1-(2-hydroxy-4-methoxyphenyl)ethylideneamino]acetamide?
The canonical SMILES for 2-(3-fluorophenoxy)-N-[(E)-1-(2-hydroxy-4-methoxyphenyl)ethylideneamino]acetamide is COc1ccc(/C(C)=N/NC(=O)COc2cccc(F)c2)c(O)c1.
What is the InChIKey of 2-(3-fluorophenoxy)-N-[(E)-1-(2-hydroxy-4-methoxyphenyl)ethylideneamino]acetamide?
The InChIKey is CAYXYQAICGDWNW-YBFXNURJSA-N. The full InChI is InChI=1S/C17H17FN2O4/c1-11(15-7-6-13(23-2)9-16(15)21)19-20-17(22)10-24-14-5-3-4-12(18)8-14/h3-9,21H,10H2,1-2H3,(H,20,22)/b19-11+.
What are the key properties of 2-(3-fluorophenoxy)-N-[(E)-1-(2-hydroxy-4-methoxyphenyl)ethylideneamino]acetamide?
2-(3-fluorophenoxy)-N-[(E)-1-(2-hydroxy-4-methoxyphenyl)ethylideneamino]acetamide has a molecular weight of 332.33 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenoxy)-N-[(E)-1-(2-hydroxy-4-methoxyphenyl)ethylideneamino]acetamide is sourced from PubChem (CID 135557679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).