N-[(Z)-1-(2,5-dimethylfuran-3-yl)ethylideneamino]-2-(2-fluorophenoxy)acetamide

C16H17FN2O3 — CID 9316839

IUPACN-[(Z)-1-(2,5-dimethylfuran-3-yl)ethylideneamino]-2-(2-fluorophenoxy)acetamide
SMILESC/C(=N/NC(=O)COc1ccccc1F)c1cc(C)oc1C
InChIInChI=1S/C16H17FN2O3/c1-10-8-13(12(3)22-10)11(2)18-19-16(20)9-21-15-7-5-4-6-14(15)17/h4-8H,9H2,1-3H3,(H,19,20)/b18-11-
InChIKeyATAPSZULRJYZLO-WQRHYEAKSA-N
MW304.32 g/mol
LogP2.95
Rot. Bonds5

About N-[(Z)-1-(2,5-dimethylfuran-3-yl)ethylideneamino]-2-(2-fluorophenoxy)acetamide

N-[(Z)-1-(2,5-dimethylfuran-3-yl)ethylideneamino]-2-(2-fluorophenoxy)acetamide (PubChem CID 9316839) has the molecular formula C16H17FN2O3 and a molecular weight of 304.32 g/mol. Its IUPAC name is N-[(Z)-1-(2,5-dimethylfuran-3-yl)ethylideneamino]-2-(2-fluorophenoxy)acetamide.

Molecular Properties

Compound NameN-[(Z)-1-(2,5-dimethylfuran-3-yl)ethylideneamino]-2-(2-fluorophenoxy)acetamide
PubChem CID9316839
Molecular FormulaC16H17FN2O3
Molecular Weight304.32 g/mol
Exact Mass304.12
IUPAC NameN-[(Z)-1-(2,5-dimethylfuran-3-yl)ethylideneamino]-2-(2-fluorophenoxy)acetamide
SMILESC/C(=N/NC(=O)COc1ccccc1F)c1cc(C)oc1C
InChIInChI=1S/C16H17FN2O3/c1-10-8-13(12(3)22-10)11(2)18-19-16(20)9-21-15-7-5-4-6-14(15)17/h4-8H,9H2,1-3H3,(H,19,20)/b18-11-
InChIKeyATAPSZULRJYZLO-WQRHYEAKSA-N
XLogP2.95
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

N-[(Z)-1-(2,5-dimethylfuran-3-yl)ethylideneamino]-2-(2-methoxyphenoxy)acetamide
CID 9315693
2-(4-bromophenoxy)-N-[(Z)-1-(2,5-dimethylfuran-3-yl)ethylideneamino]acetamide
CID 9359002
N-[1-(1-benzofuran-2-yl)ethylideneamino]-2-(2-fluorophenoxy)acetamide
CID 3377466
2-(2,5-dimethylphenoxy)-N-[(Z)-1-(2-fluorophenyl)ethylideneamino]acetamide
CID 7984935
N-[(Z)-1-(2,5-difluorophenyl)ethylideneamino]-2-(2-methoxyphenoxy)acetamide
CID 9315771
N-[(Z)-1-(2,5-dimethylfuran-3-yl)ethylideneamino]-4-fluorobenzamide
CID 9016562
N-[(Z)-1-(5-bromothiophen-2-yl)ethylideneamino]-2-(2-fluorophenoxy)acetamide
CID 9316947
2-(2-fluorophenoxy)-N-[(Z)-1-(3-nitrophenyl)ethylideneamino]acetamide
CID 7934903
N-[(Z)-1-(5-amino-3-methyl-1,2-thiazol-4-yl)ethylideneamino]-2-(2-fluorophenoxy)acetamide
CID 9393212
2-chloro-N-[(Z)-1-(2,5-dimethylfuran-3-yl)ethylideneamino]benzamide
CID 6156048
2-(2-fluorophenoxy)-N-[(Z)-1-(4-methoxyphenyl)propylideneamino]acetamide
CID 9316868
N-[(Z)-1-(2,5-dimethylthiophen-3-yl)ethylideneamino]-2-(2-methoxyphenoxy)acetamide
CID 9315700

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(2,5-dimethylfuran-3-yl)ethylideneamino]-2-(2-fluorophenoxy)acetamide?
The IUPAC name of N-[(Z)-1-(2,5-dimethylfuran-3-yl)ethylideneamino]-2-(2-fluorophenoxy)acetamide (CID 9316839) is N-[(Z)-1-(2,5-dimethylfuran-3-yl)ethylideneamino]-2-(2-fluorophenoxy)acetamide.
What is the SMILES notation for N-[(Z)-1-(2,5-dimethylfuran-3-yl)ethylideneamino]-2-(2-fluorophenoxy)acetamide?
The canonical SMILES for N-[(Z)-1-(2,5-dimethylfuran-3-yl)ethylideneamino]-2-(2-fluorophenoxy)acetamide is C/C(=N/NC(=O)COc1ccccc1F)c1cc(C)oc1C.
What is the InChIKey of N-[(Z)-1-(2,5-dimethylfuran-3-yl)ethylideneamino]-2-(2-fluorophenoxy)acetamide?
The InChIKey is ATAPSZULRJYZLO-WQRHYEAKSA-N. The full InChI is InChI=1S/C16H17FN2O3/c1-10-8-13(12(3)22-10)11(2)18-19-16(20)9-21-15-7-5-4-6-14(15)17/h4-8H,9H2,1-3H3,(H,19,20)/b18-11-.
What are the key properties of N-[(Z)-1-(2,5-dimethylfuran-3-yl)ethylideneamino]-2-(2-fluorophenoxy)acetamide?
N-[(Z)-1-(2,5-dimethylfuran-3-yl)ethylideneamino]-2-(2-fluorophenoxy)acetamide has a molecular weight of 304.32 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(2,5-dimethylfuran-3-yl)ethylideneamino]-2-(2-fluorophenoxy)acetamide is sourced from PubChem (CID 9316839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).