[2-(furan-2-ylmethylamino)-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate

C19H20FNO4 — CID 2372716

IUPAC[2-(furan-2-ylmethylamino)-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate
SMILESO=C(COC(=O)C1(c2ccc(F)cc2)CCCC1)NCc1ccco1
InChIInChI=1S/C19H20FNO4/c20-15-7-5-14(6-8-15)19(9-1-2-10-19)18(23)25-13-17(22)21-12-16-4-3-11-24-16/h3-8,11H,1-2,9-10,12-13H2,(H,21,22)
InChIKeyAOSOYJDJTGZOGW-UHFFFAOYSA-N
MW345.37 g/mol
LogP3.09
Rot. Bonds6

About [2-(furan-2-ylmethylamino)-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate

[2-(furan-2-ylmethylamino)-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate (PubChem CID 2372716) has the molecular formula C19H20FNO4 and a molecular weight of 345.37 g/mol. Its IUPAC name is [2-(furan-2-ylmethylamino)-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Name[2-(furan-2-ylmethylamino)-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate
PubChem CID2372716
Molecular FormulaC19H20FNO4
Molecular Weight345.37 g/mol
Exact Mass345.14
IUPAC Name[2-(furan-2-ylmethylamino)-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate
SMILESO=C(COC(=O)C1(c2ccc(F)cc2)CCCC1)NCc1ccco1
InChIInChI=1S/C19H20FNO4/c20-15-7-5-14(6-8-15)19(9-1-2-10-19)18(23)25-13-17(22)21-12-16-4-3-11-24-16/h3-8,11H,1-2,9-10,12-13H2,(H,21,22)
InChIKeyAOSOYJDJTGZOGW-UHFFFAOYSA-N
XLogP3.09
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(furan-2-ylmethylamino)-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate?
The IUPAC name of [2-(furan-2-ylmethylamino)-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate (CID 2372716) is [2-(furan-2-ylmethylamino)-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate.
What is the SMILES notation for [2-(furan-2-ylmethylamino)-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate?
The canonical SMILES for [2-(furan-2-ylmethylamino)-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate is O=C(COC(=O)C1(c2ccc(F)cc2)CCCC1)NCc1ccco1.
What is the InChIKey of [2-(furan-2-ylmethylamino)-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate?
The InChIKey is AOSOYJDJTGZOGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO4/c20-15-7-5-14(6-8-15)19(9-1-2-10-19)18(23)25-13-17(22)21-12-16-4-3-11-24-16/h3-8,11H,1-2,9-10,12-13H2,(H,21,22).
What are the key properties of [2-(furan-2-ylmethylamino)-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate?
[2-(furan-2-ylmethylamino)-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate has a molecular weight of 345.37 g/mol, XLogP of 3.09, 6 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] 1-(4-fluorophenyl)cyclopentane-1-carboxylate is sourced from PubChem (CID 2372716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).