[2-(furan-2-ylmethylamino)-2-oxoethyl] 4-fluorobenzoate

C14H12FNO4 — CID 2714972

IUPAC[2-(furan-2-ylmethylamino)-2-oxoethyl] 4-fluorobenzoate
SMILESO=C(COC(=O)c1ccc(F)cc1)NCc1ccco1
InChIInChI=1S/C14H12FNO4/c15-11-5-3-10(4-6-11)14(18)20-9-13(17)16-8-12-2-1-7-19-12/h1-7H,8-9H2,(H,16,17)
InChIKeyFEAYZLZEMOGLMN-UHFFFAOYSA-N
MW277.25 g/mol
LogP1.89
Rot. Bonds5

About [2-(furan-2-ylmethylamino)-2-oxoethyl] 4-fluorobenzoate

[2-(furan-2-ylmethylamino)-2-oxoethyl] 4-fluorobenzoate (PubChem CID 2714972) has the molecular formula C14H12FNO4 and a molecular weight of 277.25 g/mol. Its IUPAC name is [2-(furan-2-ylmethylamino)-2-oxoethyl] 4-fluorobenzoate.

Molecular Properties

Compound Name[2-(furan-2-ylmethylamino)-2-oxoethyl] 4-fluorobenzoate
PubChem CID2714972
Molecular FormulaC14H12FNO4
Molecular Weight277.25 g/mol
Exact Mass277.08
IUPAC Name[2-(furan-2-ylmethylamino)-2-oxoethyl] 4-fluorobenzoate
SMILESO=C(COC(=O)c1ccc(F)cc1)NCc1ccco1
InChIInChI=1S/C14H12FNO4/c15-11-5-3-10(4-6-11)14(18)20-9-13(17)16-8-12-2-1-7-19-12/h1-7H,8-9H2,(H,16,17)
InChIKeyFEAYZLZEMOGLMN-UHFFFAOYSA-N
XLogP1.89
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 2418521
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-bromo-4-fluorobenzoate
CID 8837303
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-fluorobenzoate
CID 2084919
[2-(furan-2-ylmethylamino)-2-oxoethyl] 5-(4-fluorophenyl)thiophene-2-carboxylate
CID 18192437
[2-(furan-2-ylmethylamino)-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate
CID 2428192
4-O-[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 9116888
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate
CID 2355514
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-[(4-fluorophenyl)sulfonylamino]oxyacetate
CID 7883762
[2-(furan-2-ylmethylamino)-2-oxoethyl] 4-(5-methylpyrazol-1-yl)benzoate
CID 8552464
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 8511954
5-(4-fluorophenyl)-N-(furan-2-ylmethyl)-5-oxopentanamide
CID 110298073
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 4-formylbenzoate
CID 2504373

Frequently Asked Questions

What is the IUPAC name of [2-(furan-2-ylmethylamino)-2-oxoethyl] 4-fluorobenzoate?
The IUPAC name of [2-(furan-2-ylmethylamino)-2-oxoethyl] 4-fluorobenzoate (CID 2714972) is [2-(furan-2-ylmethylamino)-2-oxoethyl] 4-fluorobenzoate.
What is the SMILES notation for [2-(furan-2-ylmethylamino)-2-oxoethyl] 4-fluorobenzoate?
The canonical SMILES for [2-(furan-2-ylmethylamino)-2-oxoethyl] 4-fluorobenzoate is O=C(COC(=O)c1ccc(F)cc1)NCc1ccco1.
What is the InChIKey of [2-(furan-2-ylmethylamino)-2-oxoethyl] 4-fluorobenzoate?
The InChIKey is FEAYZLZEMOGLMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO4/c15-11-5-3-10(4-6-11)14(18)20-9-13(17)16-8-12-2-1-7-19-12/h1-7H,8-9H2,(H,16,17).
What are the key properties of [2-(furan-2-ylmethylamino)-2-oxoethyl] 4-fluorobenzoate?
[2-(furan-2-ylmethylamino)-2-oxoethyl] 4-fluorobenzoate has a molecular weight of 277.25 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(furan-2-ylmethylamino)-2-oxoethyl] 4-fluorobenzoate is sourced from PubChem (CID 2714972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).