[2-(3-acetylanilino)-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate

C20H18FNO5 — CID 2361902

IUPAC[2-(3-acetylanilino)-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate
SMILESCC(=O)c1cccc(NC(=O)COC(=O)CCC(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C20H18FNO5/c1-13(23)15-3-2-4-17(11-15)22-19(25)12-27-20(26)10-9-18(24)14-5-7-16(21)8-6-14/h2-8,11H,9-10,12H2,1H3,(H,22,25)
InChIKeyYVLUBNRJEVAFEK-UHFFFAOYSA-N
MW371.36 g/mol
LogP3.17
Rot. Bonds8

About [2-(3-acetylanilino)-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate

[2-(3-acetylanilino)-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate (PubChem CID 2361902) has the molecular formula C20H18FNO5 and a molecular weight of 371.36 g/mol. Its IUPAC name is [2-(3-acetylanilino)-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate.

Molecular Properties

Compound Name[2-(3-acetylanilino)-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate
PubChem CID2361902
Molecular FormulaC20H18FNO5
Molecular Weight371.36 g/mol
Exact Mass371.12
IUPAC Name[2-(3-acetylanilino)-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate
SMILESCC(=O)c1cccc(NC(=O)COC(=O)CCC(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C20H18FNO5/c1-13(23)15-3-2-4-17(11-15)22-19(25)12-27-20(26)10-9-18(24)14-5-7-16(21)8-6-14/h2-8,11H,9-10,12H2,1H3,(H,22,25)
InChIKeyYVLUBNRJEVAFEK-UHFFFAOYSA-N
XLogP3.17
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.36
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-(3-acetylanilino)-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate with MolForge

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Related Compounds

4-p-Tolylcarbamoyl-butyric acid 1-methyl-2-oxo-2-phenyl-ethyl ester
CID 2901381
[2-(2-Methylsulfanylanilino)-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate
CID 2368139
[2-(4-Acetylanilino)-2-oxoethyl] 3-cyclopentylpropanoate
CID 2380175
[2-(2,4-Difluoroanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate
CID 2380295
[2-(4-Acetylanilino)-2-oxoethyl] 2,4-difluorobenzoate
CID 2386868
[2-(4-Carbamoylanilino)-2-oxoethyl] 3-cyclohexylpropanoate
CID 2416940
[2-(3-Fluoroanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate
CID 2425033
[2-(2-Acetylanilino)-2-oxoethyl] 3-cyclopentylpropanoate
CID 2511241
[2-(4-Acetamido-2-fluorophenyl)-2-oxoethyl] cyclohexanecarboxylate
CID 8220578
[1-(3-Acetylanilino)-1-oxopropan-2-yl] cyclobutanecarboxylate
CID 24816587
1-(4-Fluoroanilino)-1-oxopropan-2-yl cyclohexylacetate
CID 24979310
2-(3-Nitrophenyl)-2-oxoethyl 4-{[4-(acetylamino)phenyl]amino}-4-oxobutanoate
CID 2883150

Frequently Asked Questions

What is the IUPAC name of [2-(3-acetylanilino)-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate?
The IUPAC name of [2-(3-acetylanilino)-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate (CID 2361902) is [2-(3-acetylanilino)-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate.
What is the SMILES notation for [2-(3-acetylanilino)-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate?
The canonical SMILES for [2-(3-acetylanilino)-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate is CC(=O)c1cccc(NC(=O)COC(=O)CCC(=O)c2ccc(F)cc2)c1.
What is the InChIKey of [2-(3-acetylanilino)-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate?
The InChIKey is YVLUBNRJEVAFEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FNO5/c1-13(23)15-3-2-4-17(11-15)22-19(25)12-27-20(26)10-9-18(24)14-5-7-16(21)8-6-14/h2-8,11H,9-10,12H2,1H3,(H,22,25).
What are the key properties of [2-(3-acetylanilino)-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate?
[2-(3-acetylanilino)-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate has a molecular weight of 371.36 g/mol, XLogP of 3.17, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-acetylanilino)-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate is sourced from PubChem (CID 2361902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).