[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate

C17H18FNO4 — CID 6915233

IUPAC[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
SMILESCc1cc(C(=O)OCC(=O)NC(C)c2ccc(F)cc2)c(C)o1
InChIInChI=1S/C17H18FNO4/c1-10-8-15(12(3)23-10)17(21)22-9-16(20)19-11(2)13-4-6-14(18)7-5-13/h4-8,11H,9H2,1-3H3,(H,19,20)
InChIKeyMMMTUAMKMRCYDE-UHFFFAOYSA-N
MW319.33 g/mol
LogP3.07
Rot. Bonds5

About [2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate

[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate (PubChem CID 6915233) has the molecular formula C17H18FNO4 and a molecular weight of 319.33 g/mol. Its IUPAC name is [2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate.

Molecular Properties

Compound Name[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
PubChem CID6915233
Molecular FormulaC17H18FNO4
Molecular Weight319.33 g/mol
Exact Mass319.12
IUPAC Name[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
SMILESCc1cc(C(=O)OCC(=O)NC(C)c2ccc(F)cc2)c(C)o1
InChIInChI=1S/C17H18FNO4/c1-10-8-15(12(3)23-10)17(21)22-9-16(20)19-11(2)13-4-6-14(18)7-5-13/h4-8,11H,9H2,1-3H3,(H,19,20)
InChIKeyMMMTUAMKMRCYDE-UHFFFAOYSA-N
XLogP3.07
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.33
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate?
The IUPAC name of [2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate (CID 6915233) is [2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate.
What is the SMILES notation for [2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate?
The canonical SMILES for [2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate is Cc1cc(C(=O)OCC(=O)NC(C)c2ccc(F)cc2)c(C)o1.
What is the InChIKey of [2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate?
The InChIKey is MMMTUAMKMRCYDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO4/c1-10-8-15(12(3)23-10)17(21)22-9-16(20)19-11(2)13-4-6-14(18)7-5-13/h4-8,11H,9H2,1-3H3,(H,19,20).
What are the key properties of [2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate?
[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate has a molecular weight of 319.33 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate is sourced from PubChem (CID 6915233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).