N-[(Z)-1-(2,5-dimethylfuran-3-yl)ethylideneamino]-4-fluorobenzamide

C15H15FN2O2 — CID 9016562

IUPACN-[(Z)-1-(2,5-dimethylfuran-3-yl)ethylideneamino]-4-fluorobenzamide
SMILESC/C(=N/NC(=O)c1ccc(F)cc1)c1cc(C)oc1C
InChIInChI=1S/C15H15FN2O2/c1-9-8-14(11(3)20-9)10(2)17-18-15(19)12-4-6-13(16)7-5-12/h4-8H,1-3H3,(H,18,19)/b17-10-
InChIKeyGHENBCPMUIAXND-YVLHZVERSA-N
MW274.30 g/mol
LogP3.19
Rot. Bonds3

About N-[(Z)-1-(2,5-dimethylfuran-3-yl)ethylideneamino]-4-fluorobenzamide

N-[(Z)-1-(2,5-dimethylfuran-3-yl)ethylideneamino]-4-fluorobenzamide (PubChem CID 9016562) has the molecular formula C15H15FN2O2 and a molecular weight of 274.30 g/mol. Its IUPAC name is N-[(Z)-1-(2,5-dimethylfuran-3-yl)ethylideneamino]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[(Z)-1-(2,5-dimethylfuran-3-yl)ethylideneamino]-4-fluorobenzamide
PubChem CID9016562
Molecular FormulaC15H15FN2O2
Molecular Weight274.30 g/mol
Exact Mass274.11
IUPAC NameN-[(Z)-1-(2,5-dimethylfuran-3-yl)ethylideneamino]-4-fluorobenzamide
SMILESC/C(=N/NC(=O)c1ccc(F)cc1)c1cc(C)oc1C
InChIInChI=1S/C15H15FN2O2/c1-9-8-14(11(3)20-9)10(2)17-18-15(19)12-4-6-13(16)7-5-12/h4-8H,1-3H3,(H,18,19)/b17-10-
InChIKeyGHENBCPMUIAXND-YVLHZVERSA-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 ≤ 500274.30
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-[(E)-1-(3-fluorophenyl)ethylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 46799495
2-chloro-N-[(Z)-1-(2,5-dimethylfuran-3-yl)ethylideneamino]benzamide
CID 6156048
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
N'-[(Z)-1-(2,5-dimethylfuran-3-yl)ethylideneamino]oxamide
CID 9120771
N-[(Z)-1-(2,5-dimethylfuran-3-yl)ethylideneamino]-2-(2-fluorophenoxy)acetamide
CID 9316839
N-[1-(2-chlorophenyl)ethylideneamino]-4-fluorobenzamide
CID 4123308
2,5-dimethyl-N-[1-(2,3,4-trichlorophenyl)ethylideneamino]furan-3-carboxamide
CID 4638299
N-[1-(2,4-dimethoxyphenyl)ethylideneamino]-4-fluorobenzamide
CID 78596498
4-fluoro-N-(propan-2-ylideneamino)benzamide
CID 847533
N-[(Z)-1-(2,5-dimethylfuran-3-yl)ethylideneamino]-2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetamide
CID 8882627
4-chloro-N-[(Z)-1-(3,5-dimethylfuran-2-yl)ethylideneamino]benzamide
CID 94188811

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(2,5-dimethylfuran-3-yl)ethylideneamino]-4-fluorobenzamide?
The IUPAC name of N-[(Z)-1-(2,5-dimethylfuran-3-yl)ethylideneamino]-4-fluorobenzamide (CID 9016562) is N-[(Z)-1-(2,5-dimethylfuran-3-yl)ethylideneamino]-4-fluorobenzamide.
What is the SMILES notation for N-[(Z)-1-(2,5-dimethylfuran-3-yl)ethylideneamino]-4-fluorobenzamide?
The canonical SMILES for N-[(Z)-1-(2,5-dimethylfuran-3-yl)ethylideneamino]-4-fluorobenzamide is C/C(=N/NC(=O)c1ccc(F)cc1)c1cc(C)oc1C.
What is the InChIKey of N-[(Z)-1-(2,5-dimethylfuran-3-yl)ethylideneamino]-4-fluorobenzamide?
The InChIKey is GHENBCPMUIAXND-YVLHZVERSA-N. The full InChI is InChI=1S/C15H15FN2O2/c1-9-8-14(11(3)20-9)10(2)17-18-15(19)12-4-6-13(16)7-5-12/h4-8H,1-3H3,(H,18,19)/b17-10-.
What are the key properties of N-[(Z)-1-(2,5-dimethylfuran-3-yl)ethylideneamino]-4-fluorobenzamide?
N-[(Z)-1-(2,5-dimethylfuran-3-yl)ethylideneamino]-4-fluorobenzamide has a molecular weight of 274.30 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-[(Z)-1-(2,5-dimethylfuran-3-yl)ethylideneamino]-4-fluorobenzamide is sourced from PubChem (CID 9016562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).