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

C17H16FNO5 — CID 2344971

IUPAC[2-(furan-2-ylmethylamino)-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate
SMILESO=C(COC(=O)CCC(=O)c1ccc(F)cc1)NCc1ccco1
InChIInChI=1S/C17H16FNO5/c18-13-5-3-12(4-6-13)15(20)7-8-17(22)24-11-16(21)19-10-14-2-1-9-23-14/h1-6,9H,7-8,10-11H2,(H,19,21)
InChIKeyDEAUZILKIGNVCE-UHFFFAOYSA-N
MW333.31 g/mol
LogP2.24
Rot. Bonds8

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

[2-(furan-2-ylmethylamino)-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate (PubChem CID 2344971) has the molecular formula C17H16FNO5 and a molecular weight of 333.31 g/mol. Its IUPAC name is [2-(furan-2-ylmethylamino)-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate.

Molecular Properties

Compound Name[2-(furan-2-ylmethylamino)-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate
PubChem CID2344971
Molecular FormulaC17H16FNO5
Molecular Weight333.31 g/mol
Exact Mass333.10
IUPAC Name[2-(furan-2-ylmethylamino)-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate
SMILESO=C(COC(=O)CCC(=O)c1ccc(F)cc1)NCc1ccco1
InChIInChI=1S/C17H16FNO5/c18-13-5-3-12(4-6-13)15(20)7-8-17(22)24-11-16(21)19-10-14-2-1-9-23-14/h1-6,9H,7-8,10-11H2,(H,19,21)
InChIKeyDEAUZILKIGNVCE-UHFFFAOYSA-N
XLogP2.24
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.31
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(furan-2-ylmethylamino)-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate?
The IUPAC name of [2-(furan-2-ylmethylamino)-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate (CID 2344971) is [2-(furan-2-ylmethylamino)-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate.
What is the SMILES notation for [2-(furan-2-ylmethylamino)-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate?
The canonical SMILES for [2-(furan-2-ylmethylamino)-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate is O=C(COC(=O)CCC(=O)c1ccc(F)cc1)NCc1ccco1.
What is the InChIKey of [2-(furan-2-ylmethylamino)-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate?
The InChIKey is DEAUZILKIGNVCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO5/c18-13-5-3-12(4-6-13)15(20)7-8-17(22)24-11-16(21)19-10-14-2-1-9-23-14/h1-6,9H,7-8,10-11H2,(H,19,21).
What are the key properties of [2-(furan-2-ylmethylamino)-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate?
[2-(furan-2-ylmethylamino)-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate has a molecular weight of 333.31 g/mol, XLogP of 2.24, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(furan-2-ylmethylamino)-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate is sourced from PubChem (CID 2344971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).