N-[(Z)-(2-ethyl-1-benzofuran-3-yl)methylideneamino]-4-fluorobenzamide

C18H15FN2O2 — CID 8825899

IUPACN-[(Z)-(2-ethyl-1-benzofuran-3-yl)methylideneamino]-4-fluorobenzamide
SMILESCCc1oc2ccccc2c1/C=N\NC(=O)c1ccc(F)cc1
InChIInChI=1S/C18H15FN2O2/c1-2-16-15(14-5-3-4-6-17(14)23-16)11-20-21-18(22)12-7-9-13(19)10-8-12/h3-11H,2H2,1H3,(H,21,22)/b20-11-
InChIKeyXZARGWMVQHWHSL-JAIQZWGSSA-N
MW310.33 g/mol
LogP3.90
Rot. Bonds4

About N-[(Z)-(2-ethyl-1-benzofuran-3-yl)methylideneamino]-4-fluorobenzamide

N-[(Z)-(2-ethyl-1-benzofuran-3-yl)methylideneamino]-4-fluorobenzamide (PubChem CID 8825899) has the molecular formula C18H15FN2O2 and a molecular weight of 310.33 g/mol. Its IUPAC name is N-[(Z)-(2-ethyl-1-benzofuran-3-yl)methylideneamino]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[(Z)-(2-ethyl-1-benzofuran-3-yl)methylideneamino]-4-fluorobenzamide
PubChem CID8825899
Molecular FormulaC18H15FN2O2
Molecular Weight310.33 g/mol
Exact Mass310.11
IUPAC NameN-[(Z)-(2-ethyl-1-benzofuran-3-yl)methylideneamino]-4-fluorobenzamide
SMILESCCc1oc2ccccc2c1/C=N\NC(=O)c1ccc(F)cc1
InChIInChI=1S/C18H15FN2O2/c1-2-16-15(14-5-3-4-6-17(14)23-16)11-20-21-18(22)12-7-9-13(19)10-8-12/h3-11H,2H2,1H3,(H,21,22)/b20-11-
InChIKeyXZARGWMVQHWHSL-JAIQZWGSSA-N
XLogP3.90
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 53.90
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)-(2-ethyl-1-benzofuran-3-yl)methylideneamino]pyridine-4-carboxamide
CID 8825879
N-[(Z)-(2-ethyl-1-benzofuran-3-yl)methylideneamino]acetamide
CID 8826088
N'-[(E)-3-(2-ethyl-1-benzofuran-3-yl)prop-2-enoyl]-4-fluorobenzohydrazide
CID 8870811
N-[(Z)-(2-ethyl-1-benzofuran-3-yl)methylideneamino]-2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetamide
CID 8882780
N-[(2-ethyl-1-benzofuran-3-yl)methylidene]hydroxylamine
CID 57355898
N-[(Z)-(2-ethyl-1-benzofuran-3-yl)methylideneamino]-2-(3-methylphenoxy)acetamide
CID 8826359
N-[(Z)-(2-ethyl-1-benzofuran-3-yl)methylideneamino]-4-methylaniline
CID 8825966
2-[(Z)-(2-ethyl-1-benzofuran-3-yl)methylideneamino]guanidine
CID 8825933
4-fluoro-N-[(1-hydroxynaphthalen-2-yl)methylideneamino]benzamide
CID 4293070
(2S)-N'-[(E)-3-(2-ethyl-1-benzofuran-3-yl)prop-2-enoyl]-2-(4-fluorophenoxy)propanehydrazide
CID 9091795
4-[(Z)-(2-ethyl-1-benzofuran-3-yl)methylideneamino]-3-[(4-fluorophenyl)methyl]-1H-1,2,4-triazole-5-thione
CID 8864414
4-fluoro-N-[(E)-(4-fluorophenyl)methylideneamino]benzamide
CID 5333155

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2-ethyl-1-benzofuran-3-yl)methylideneamino]-4-fluorobenzamide?
The IUPAC name of N-[(Z)-(2-ethyl-1-benzofuran-3-yl)methylideneamino]-4-fluorobenzamide (CID 8825899) is N-[(Z)-(2-ethyl-1-benzofuran-3-yl)methylideneamino]-4-fluorobenzamide.
What is the SMILES notation for N-[(Z)-(2-ethyl-1-benzofuran-3-yl)methylideneamino]-4-fluorobenzamide?
The canonical SMILES for N-[(Z)-(2-ethyl-1-benzofuran-3-yl)methylideneamino]-4-fluorobenzamide is CCc1oc2ccccc2c1/C=N\NC(=O)c1ccc(F)cc1.
What is the InChIKey of N-[(Z)-(2-ethyl-1-benzofuran-3-yl)methylideneamino]-4-fluorobenzamide?
The InChIKey is XZARGWMVQHWHSL-JAIQZWGSSA-N. The full InChI is InChI=1S/C18H15FN2O2/c1-2-16-15(14-5-3-4-6-17(14)23-16)11-20-21-18(22)12-7-9-13(19)10-8-12/h3-11H,2H2,1H3,(H,21,22)/b20-11-.
What are the key properties of N-[(Z)-(2-ethyl-1-benzofuran-3-yl)methylideneamino]-4-fluorobenzamide?
N-[(Z)-(2-ethyl-1-benzofuran-3-yl)methylideneamino]-4-fluorobenzamide has a molecular weight of 310.33 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2-ethyl-1-benzofuran-3-yl)methylideneamino]-4-fluorobenzamide is sourced from PubChem (CID 8825899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).