[2-(ethylamino)-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate

C14H16FNO4 — CID 2432458

IUPAC[2-(ethylamino)-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate
SMILESCCNC(=O)COC(=O)CCC(=O)c1ccc(F)cc1
InChIInChI=1S/C14H16FNO4/c1-2-16-13(18)9-20-14(19)8-7-12(17)10-3-5-11(15)6-4-10/h3-6H,2,7-9H2,1H3,(H,16,18)
InChIKeyGSFFRPZFKDCXDW-UHFFFAOYSA-N
MW281.28 g/mol
LogP1.47
Rot. Bonds7

About [2-(ethylamino)-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate

[2-(ethylamino)-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate (PubChem CID 2432458) has the molecular formula C14H16FNO4 and a molecular weight of 281.28 g/mol. Its IUPAC name is [2-(ethylamino)-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate.

Molecular Properties

Compound Name[2-(ethylamino)-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate
PubChem CID2432458
Molecular FormulaC14H16FNO4
Molecular Weight281.28 g/mol
Exact Mass281.11
IUPAC Name[2-(ethylamino)-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate
SMILESCCNC(=O)COC(=O)CCC(=O)c1ccc(F)cc1
InChIInChI=1S/C14H16FNO4/c1-2-16-13(18)9-20-14(19)8-7-12(17)10-3-5-11(15)6-4-10/h3-6H,2,7-9H2,1H3,(H,16,18)
InChIKeyGSFFRPZFKDCXDW-UHFFFAOYSA-N
XLogP1.47
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(ethylamino)-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate?
The IUPAC name of [2-(ethylamino)-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate (CID 2432458) is [2-(ethylamino)-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate.
What is the SMILES notation for [2-(ethylamino)-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate?
The canonical SMILES for [2-(ethylamino)-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate is CCNC(=O)COC(=O)CCC(=O)c1ccc(F)cc1.
What is the InChIKey of [2-(ethylamino)-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate?
The InChIKey is GSFFRPZFKDCXDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO4/c1-2-16-13(18)9-20-14(19)8-7-12(17)10-3-5-11(15)6-4-10/h3-6H,2,7-9H2,1H3,(H,16,18).
What are the key properties of [2-(ethylamino)-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate?
[2-(ethylamino)-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate has a molecular weight of 281.28 g/mol, XLogP of 1.47, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethylamino)-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate is sourced from PubChem (CID 2432458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).