[(E)-(2-phenyl-1-thiophen-2-ylethylidene)amino] 4-fluorobenzoate

C19H14FNO2S — CID 126057621

IUPAC[(E)-(2-phenyl-1-thiophen-2-ylethylidene)amino] 4-fluorobenzoate
SMILESO=C(O/N=C(\Cc1ccccc1)c1cccs1)c1ccc(F)cc1
InChIInChI=1S/C19H14FNO2S/c20-16-10-8-15(9-11-16)19(22)23-21-17(18-7-4-12-24-18)13-14-5-2-1-3-6-14/h1-12H,13H2/b21-17+
InChIKeyJFIJJRYQIIXGGW-HEHNFIMWSA-N
MW339.39 g/mol
LogP4.69
Rot. Bonds5

About [(E)-(2-phenyl-1-thiophen-2-ylethylidene)amino] 4-fluorobenzoate

[(E)-(2-phenyl-1-thiophen-2-ylethylidene)amino] 4-fluorobenzoate (PubChem CID 126057621) has the molecular formula C19H14FNO2S and a molecular weight of 339.39 g/mol. Its IUPAC name is [(E)-(2-phenyl-1-thiophen-2-ylethylidene)amino] 4-fluorobenzoate.

Molecular Properties

Compound Name[(E)-(2-phenyl-1-thiophen-2-ylethylidene)amino] 4-fluorobenzoate
PubChem CID126057621
Molecular FormulaC19H14FNO2S
Molecular Weight339.39 g/mol
Exact Mass339.07
IUPAC Name[(E)-(2-phenyl-1-thiophen-2-ylethylidene)amino] 4-fluorobenzoate
SMILESO=C(O/N=C(\Cc1ccccc1)c1cccs1)c1ccc(F)cc1
InChIInChI=1S/C19H14FNO2S/c20-16-10-8-15(9-11-16)19(22)23-21-17(18-7-4-12-24-18)13-14-5-2-1-3-6-14/h1-12H,13H2/b21-17+
InChIKeyJFIJJRYQIIXGGW-HEHNFIMWSA-N
XLogP4.69
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-phenyl-1-thiophen-2-ylethylidene)hydroxylamine
CID 71948509
(2-phenylacetyl) 4-fluorobenzoate
CID 174678547
europium;1-(4-fluorophenyl)-3-thiophen-2-ylpropane-1,3-dione
CID 157335642
[(Z)-[amino(phenyl)methylidene]amino] thiophene-2-carboxylate
CID 5332740
(NZ)-N-[1-(4-fluorophenyl)-2-phenylethylidene]hydroxylamine
CID 22277781
(4-fluorophenyl) thiophene-2-carboxylate
CID 573740
benzyl (Z)-3-(4-fluorophenyl)-2-thiophen-2-ylprop-2-enoate
CID 8852180
[(1-amino-2-naphthalen-1-ylethylidene)amino] 4-fluorobenzoate
CID 2225601
benzoyl thiophene-2-carboxylate
CID 174319053
1-phenyl-2-thiophen-2-ylethane-1,2-dione
CID 2175267
[(E)-[2-(4-acetamidophenyl)-1-aminoethylidene]amino] 4-fluorobenzoate
CID 100802202
N-[[1-(4-fluorophenyl)-2-pyridin-4-ylethylidene]amino]benzamide
CID 91385749

Frequently Asked Questions

What is the IUPAC name of [(E)-(2-phenyl-1-thiophen-2-ylethylidene)amino] 4-fluorobenzoate?
The IUPAC name of [(E)-(2-phenyl-1-thiophen-2-ylethylidene)amino] 4-fluorobenzoate (CID 126057621) is [(E)-(2-phenyl-1-thiophen-2-ylethylidene)amino] 4-fluorobenzoate.
What is the SMILES notation for [(E)-(2-phenyl-1-thiophen-2-ylethylidene)amino] 4-fluorobenzoate?
The canonical SMILES for [(E)-(2-phenyl-1-thiophen-2-ylethylidene)amino] 4-fluorobenzoate is O=C(O/N=C(\Cc1ccccc1)c1cccs1)c1ccc(F)cc1.
What is the InChIKey of [(E)-(2-phenyl-1-thiophen-2-ylethylidene)amino] 4-fluorobenzoate?
The InChIKey is JFIJJRYQIIXGGW-HEHNFIMWSA-N. The full InChI is InChI=1S/C19H14FNO2S/c20-16-10-8-15(9-11-16)19(22)23-21-17(18-7-4-12-24-18)13-14-5-2-1-3-6-14/h1-12H,13H2/b21-17+.
What are the key properties of [(E)-(2-phenyl-1-thiophen-2-ylethylidene)amino] 4-fluorobenzoate?
[(E)-(2-phenyl-1-thiophen-2-ylethylidene)amino] 4-fluorobenzoate has a molecular weight of 339.39 g/mol, XLogP of 4.69, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-(2-phenyl-1-thiophen-2-ylethylidene)amino] 4-fluorobenzoate is sourced from PubChem (CID 126057621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).