N-[(E)-1-(3-fluorophenyl)ethylideneamino]-2,5-dimethylfuran-3-carboxamide

C15H15FN2O2 — CID 46799495

IUPACN-[(E)-1-(3-fluorophenyl)ethylideneamino]-2,5-dimethylfuran-3-carboxamide
SMILESC/C(=N\NC(=O)c1cc(C)oc1C)c1cccc(F)c1
InChIInChI=1S/C15H15FN2O2/c1-9-7-14(11(3)20-9)15(19)18-17-10(2)12-5-4-6-13(16)8-12/h4-8H,1-3H3,(H,18,19)/b17-10+
InChIKeyQOQYXGJJYDJIHD-LICLKQGHSA-N
MW274.29 g/mol
LogP3.19
Rot. Bonds3

About N-[(E)-1-(3-fluorophenyl)ethylideneamino]-2,5-dimethylfuran-3-carboxamide

N-[(E)-1-(3-fluorophenyl)ethylideneamino]-2,5-dimethylfuran-3-carboxamide (PubChem CID 46799495) has the molecular formula C15H15FN2O2 and a molecular weight of 274.29 g/mol. Its IUPAC name is N-[(E)-1-(3-fluorophenyl)ethylideneamino]-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-1-(3-fluorophenyl)ethylideneamino]-2,5-dimethylfuran-3-carboxamide
PubChem CID46799495
Molecular FormulaC15H15FN2O2
Molecular Weight274.29 g/mol
Exact Mass274.11
IUPAC NameN-[(E)-1-(3-fluorophenyl)ethylideneamino]-2,5-dimethylfuran-3-carboxamide
SMILESC/C(=N\NC(=O)c1cc(C)oc1C)c1cccc(F)c1
InChIInChI=1S/C15H15FN2O2/c1-9-7-14(11(3)20-9)15(19)18-17-10(2)12-5-4-6-13(16)8-12/h4-8H,1-3H3,(H,18,19)/b17-10+
InChIKeyQOQYXGJJYDJIHD-LICLKQGHSA-N
XLogP3.19
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(3-methoxyphenyl)ethylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 6131731
N-[(Z)-1-(2,5-dimethylfuran-3-yl)ethylideneamino]-4-fluorobenzamide
CID 9016562
2,5-dimethyl-N-[(Z)-1-(2-methylphenyl)ethylideneamino]furan-3-carboxamide
CID 8518516
N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 135635825
2-chloro-N-[(Z)-1-(2,5-dimethylfuran-3-yl)ethylideneamino]benzamide
CID 6156048
N-[(E)-1-[3-(diethylaminomethyl)-4-hydroxyphenyl]ethylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 135588317
2,5-dimethyl-N-[1-(2,3,4-trichlorophenyl)ethylideneamino]furan-3-carboxamide
CID 4638299
N-(3-acetylphenyl)-2,5-dimethylfuran-3-carboxamide
CID 4057606
N-[1-(2-chlorophenyl)ethylideneamino]-3-fluorobenzamide
CID 4181605
2,5-difluoro-N-[(Z)-1-phenylethylideneamino]benzamide
CID 86621112
N-[(Z)-(2-fluorophenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 5412703
N-[(E)-(2-fluorophenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 6893755

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(3-fluorophenyl)ethylideneamino]-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-[(E)-1-(3-fluorophenyl)ethylideneamino]-2,5-dimethylfuran-3-carboxamide (CID 46799495) is N-[(E)-1-(3-fluorophenyl)ethylideneamino]-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-[(E)-1-(3-fluorophenyl)ethylideneamino]-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-[(E)-1-(3-fluorophenyl)ethylideneamino]-2,5-dimethylfuran-3-carboxamide is C/C(=N\NC(=O)c1cc(C)oc1C)c1cccc(F)c1.
What is the InChIKey of N-[(E)-1-(3-fluorophenyl)ethylideneamino]-2,5-dimethylfuran-3-carboxamide?
The InChIKey is QOQYXGJJYDJIHD-LICLKQGHSA-N. The full InChI is InChI=1S/C15H15FN2O2/c1-9-7-14(11(3)20-9)15(19)18-17-10(2)12-5-4-6-13(16)8-12/h4-8H,1-3H3,(H,18,19)/b17-10+.
What are the key properties of N-[(E)-1-(3-fluorophenyl)ethylideneamino]-2,5-dimethylfuran-3-carboxamide?
N-[(E)-1-(3-fluorophenyl)ethylideneamino]-2,5-dimethylfuran-3-carboxamide has a molecular weight of 274.29 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(3-fluorophenyl)ethylideneamino]-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 46799495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).