[2-(2,4-difluoroanilino)-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate

C18H14F3NO4 — CID 2432465

IUPAC[2-(2,4-difluoroanilino)-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate
SMILESO=C(COC(=O)CCC(=O)c1ccc(F)cc1)Nc1ccc(F)cc1F
InChIInChI=1S/C18H14F3NO4/c19-12-3-1-11(2-4-12)16(23)7-8-18(25)26-10-17(24)22-15-6-5-13(20)9-14(15)21/h1-6,9H,7-8,10H2,(H,22,24)
InChIKeyJJLUWIALFBPUTM-UHFFFAOYSA-N
MW365.31 g/mol
LogP3.25
Rot. Bonds7

About [2-(2,4-difluoroanilino)-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate

[2-(2,4-difluoroanilino)-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate (PubChem CID 2432465) has the molecular formula C18H14F3NO4 and a molecular weight of 365.31 g/mol. Its IUPAC name is [2-(2,4-difluoroanilino)-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate.

Molecular Properties

Compound Name[2-(2,4-difluoroanilino)-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate
PubChem CID2432465
Molecular FormulaC18H14F3NO4
Molecular Weight365.31 g/mol
Exact Mass365.09
IUPAC Name[2-(2,4-difluoroanilino)-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate
SMILESO=C(COC(=O)CCC(=O)c1ccc(F)cc1)Nc1ccc(F)cc1F
InChIInChI=1S/C18H14F3NO4/c19-12-3-1-11(2-4-12)16(23)7-8-18(25)26-10-17(24)22-15-6-5-13(20)9-14(15)21/h1-6,9H,7-8,10H2,(H,22,24)
InChIKeyJJLUWIALFBPUTM-UHFFFAOYSA-N
XLogP3.25
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.31
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[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-(2,4-Difluoroanilino)-2-oxoethyl] 4-formylbenzoate
CID 2437621
[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-(2-Methylanilino)-2-oxoethyl] 3-phenylpropanoate
CID 1690080

Frequently Asked Questions

What is the IUPAC name of [2-(2,4-difluoroanilino)-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate?
The IUPAC name of [2-(2,4-difluoroanilino)-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate (CID 2432465) is [2-(2,4-difluoroanilino)-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate.
What is the SMILES notation for [2-(2,4-difluoroanilino)-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate?
The canonical SMILES for [2-(2,4-difluoroanilino)-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate is O=C(COC(=O)CCC(=O)c1ccc(F)cc1)Nc1ccc(F)cc1F.
What is the InChIKey of [2-(2,4-difluoroanilino)-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate?
The InChIKey is JJLUWIALFBPUTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3NO4/c19-12-3-1-11(2-4-12)16(23)7-8-18(25)26-10-17(24)22-15-6-5-13(20)9-14(15)21/h1-6,9H,7-8,10H2,(H,22,24).
What are the key properties of [2-(2,4-difluoroanilino)-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate?
[2-(2,4-difluoroanilino)-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate has a molecular weight of 365.31 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-difluoroanilino)-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate is sourced from PubChem (CID 2432465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).