[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(4-fluorophenyl)acetate

C15H14FNO4 — CID 2337081

IUPAC[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(4-fluorophenyl)acetate
SMILESO=C(COC(=O)Cc1ccc(F)cc1)NCc1ccco1
InChIInChI=1S/C15H14FNO4/c16-12-5-3-11(4-6-12)8-15(19)21-10-14(18)17-9-13-2-1-7-20-13/h1-7H,8-10H2,(H,17,18)
InChIKeyIDZMWQSHZHVQSX-UHFFFAOYSA-N
MW291.28 g/mol
LogP1.82
Rot. Bonds6

About [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(4-fluorophenyl)acetate

[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(4-fluorophenyl)acetate (PubChem CID 2337081) has the molecular formula C15H14FNO4 and a molecular weight of 291.28 g/mol. Its IUPAC name is [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(4-fluorophenyl)acetate.

Molecular Properties

Compound Name[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(4-fluorophenyl)acetate
PubChem CID2337081
Molecular FormulaC15H14FNO4
Molecular Weight291.28 g/mol
Exact Mass291.09
IUPAC Name[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(4-fluorophenyl)acetate
SMILESO=C(COC(=O)Cc1ccc(F)cc1)NCc1ccco1
InChIInChI=1S/C15H14FNO4/c16-12-5-3-11(4-6-12)8-15(19)21-10-14(18)17-9-13-2-1-7-20-13/h1-7H,8-10H2,(H,17,18)
InChIKeyIDZMWQSHZHVQSX-UHFFFAOYSA-N
XLogP1.82
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.28
LogP ≤ 51.82
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] 2-(4-fluorophenyl)acetate?
The IUPAC name of [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(4-fluorophenyl)acetate (CID 2337081) is [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(4-fluorophenyl)acetate.
What is the SMILES notation for [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(4-fluorophenyl)acetate?
The canonical SMILES for [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(4-fluorophenyl)acetate is O=C(COC(=O)Cc1ccc(F)cc1)NCc1ccco1.
What is the InChIKey of [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(4-fluorophenyl)acetate?
The InChIKey is IDZMWQSHZHVQSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO4/c16-12-5-3-11(4-6-12)8-15(19)21-10-14(18)17-9-13-2-1-7-20-13/h1-7H,8-10H2,(H,17,18).
What are the key properties of [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(4-fluorophenyl)acetate?
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(4-fluorophenyl)acetate has a molecular weight of 291.28 g/mol, XLogP of 1.82, 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] 2-(4-fluorophenyl)acetate is sourced from PubChem (CID 2337081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).