[2-[benzyl(methyl)amino]-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate

C20H20FNO4 — CID 2356128

IUPAC[2-[benzyl(methyl)amino]-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate
SMILESCN(Cc1ccccc1)C(=O)COC(=O)CCC(=O)c1ccc(F)cc1
InChIInChI=1S/C20H20FNO4/c1-22(13-15-5-3-2-4-6-15)19(24)14-26-20(25)12-11-18(23)16-7-9-17(21)10-8-16/h2-10H,11-14H2,1H3
InChIKeyXYFHVICNNAEWDC-UHFFFAOYSA-N
MW357.38 g/mol
LogP2.99
Rot. Bonds8

About [2-[benzyl(methyl)amino]-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate

[2-[benzyl(methyl)amino]-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate (PubChem CID 2356128) has the molecular formula C20H20FNO4 and a molecular weight of 357.38 g/mol. Its IUPAC name is [2-[benzyl(methyl)amino]-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate.

Molecular Properties

Compound Name[2-[benzyl(methyl)amino]-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate
PubChem CID2356128
Molecular FormulaC20H20FNO4
Molecular Weight357.38 g/mol
Exact Mass357.14
IUPAC Name[2-[benzyl(methyl)amino]-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate
SMILESCN(Cc1ccccc1)C(=O)COC(=O)CCC(=O)c1ccc(F)cc1
InChIInChI=1S/C20H20FNO4/c1-22(13-15-5-3-2-4-6-15)19(24)14-26-20(25)12-11-18(23)16-7-9-17(21)10-8-16/h2-10H,11-14H2,1H3
InChIKeyXYFHVICNNAEWDC-UHFFFAOYSA-N
XLogP2.99
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.38
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[benzyl(methyl)amino]-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate?
The IUPAC name of [2-[benzyl(methyl)amino]-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate (CID 2356128) is [2-[benzyl(methyl)amino]-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate.
What is the SMILES notation for [2-[benzyl(methyl)amino]-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate?
The canonical SMILES for [2-[benzyl(methyl)amino]-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate is CN(Cc1ccccc1)C(=O)COC(=O)CCC(=O)c1ccc(F)cc1.
What is the InChIKey of [2-[benzyl(methyl)amino]-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate?
The InChIKey is XYFHVICNNAEWDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FNO4/c1-22(13-15-5-3-2-4-6-15)19(24)14-26-20(25)12-11-18(23)16-7-9-17(21)10-8-16/h2-10H,11-14H2,1H3.
What are the key properties of [2-[benzyl(methyl)amino]-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate?
[2-[benzyl(methyl)amino]-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate has a molecular weight of 357.38 g/mol, XLogP of 2.99, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[benzyl(methyl)amino]-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate is sourced from PubChem (CID 2356128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).