[2-(4-fluorophenyl)-2-oxoethyl] 2-(4-fluoroanilino)-4-oxo-4-phenylbutanoate

C24H19F2NO4 — CID 3904587

IUPAC[2-(4-fluorophenyl)-2-oxoethyl] 2-(4-fluoroanilino)-4-oxo-4-phenylbutanoate
SMILESO=C(COC(=O)C(CC(=O)c1ccccc1)Nc1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C24H19F2NO4/c25-18-8-6-17(7-9-18)23(29)15-31-24(30)21(27-20-12-10-19(26)11-13-20)14-22(28)16-4-2-1-3-5-16/h1-13,21,27H,14-15H2
InChIKeyPWUIWZIQIWFFNK-UHFFFAOYSA-N
MW423.42 g/mol
LogP4.44
Rot. Bonds9

About [2-(4-fluorophenyl)-2-oxoethyl] 2-(4-fluoroanilino)-4-oxo-4-phenylbutanoate

[2-(4-fluorophenyl)-2-oxoethyl] 2-(4-fluoroanilino)-4-oxo-4-phenylbutanoate (PubChem CID 3904587) has the molecular formula C24H19F2NO4 and a molecular weight of 423.42 g/mol. Its IUPAC name is [2-(4-fluorophenyl)-2-oxoethyl] 2-(4-fluoroanilino)-4-oxo-4-phenylbutanoate.

Molecular Properties

Compound Name[2-(4-fluorophenyl)-2-oxoethyl] 2-(4-fluoroanilino)-4-oxo-4-phenylbutanoate
PubChem CID3904587
Molecular FormulaC24H19F2NO4
Molecular Weight423.42 g/mol
Exact Mass423.13
IUPAC Name[2-(4-fluorophenyl)-2-oxoethyl] 2-(4-fluoroanilino)-4-oxo-4-phenylbutanoate
SMILESO=C(COC(=O)C(CC(=O)c1ccccc1)Nc1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C24H19F2NO4/c25-18-8-6-17(7-9-18)23(29)15-31-24(30)21(27-20-12-10-19(26)11-13-20)14-22(28)16-4-2-1-3-5-16/h1-13,21,27H,14-15H2
InChIKeyPWUIWZIQIWFFNK-UHFFFAOYSA-N
XLogP4.44
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.42
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-(4-fluorophenyl)-2-oxoethyl] 2-(4-fluoroanilino)-4-oxo-4-phenylbutanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(3-nitrophenyl)-2-oxoethyl] (2S)-2-(4-fluoroanilino)-4-oxo-4-phenylbutanoate
CID 41039155
[2-(4-bromophenyl)-2-oxoethyl] (2S)-2-anilino-4-oxo-4-phenylbutanoate
CID 41039145
[2-(4-bromophenyl)-2-oxoethyl] (2S)-2-(4-chloroanilino)-4-oxo-4-phenylbutanoate
CID 41039141
[2-(4-methylphenyl)-2-oxoethyl] (2S)-2-(3,4-dimethylanilino)-4-oxo-4-phenylbutanoate
CID 41039140
[(2S)-1-(4-chlorophenyl)-1-oxopropan-2-yl] (2R)-2-(4-fluoroanilino)-4-oxo-4-phenylbutanoate
CID 41039179
[2-(4-methoxyphenyl)-2-oxoethyl] (2R)-2-(2-methoxyanilino)-4-oxo-4-phenylbutanoate
CID 41039159
[2-(3-nitrophenyl)-2-oxoethyl] 2-(4-chloroanilino)-4-oxo-4-phenylbutanoate
CID 2933351
[2-(4-fluorophenyl)-2-oxoethyl] (2S)-4-amino-4-oxo-2-(phenoxycarbonylamino)butanoate
CID 126006555
[2-(4-methoxyphenyl)-2-oxoethyl] (2R)-2-(2-chloroanilino)-4-oxo-4-phenylbutanoate
CID 2178786
[2-(4-methoxyphenyl)-2-oxoethyl] (2S)-2-(2-chloroanilino)-4-oxo-4-phenylbutanoate
CID 2178787
[2-(4-fluorophenyl)-2-oxoethyl] 2-acetamido-3-phenylpropanoate
CID 2913195
[2-(4-fluorophenyl)-2-oxoethyl] (2R)-4-amino-4-oxo-2-(phenylmethoxycarbonylamino)butanoate
CID 126007466

Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)-2-oxoethyl] 2-(4-fluoroanilino)-4-oxo-4-phenylbutanoate?
The IUPAC name of [2-(4-fluorophenyl)-2-oxoethyl] 2-(4-fluoroanilino)-4-oxo-4-phenylbutanoate (CID 3904587) is [2-(4-fluorophenyl)-2-oxoethyl] 2-(4-fluoroanilino)-4-oxo-4-phenylbutanoate.
What is the SMILES notation for [2-(4-fluorophenyl)-2-oxoethyl] 2-(4-fluoroanilino)-4-oxo-4-phenylbutanoate?
The canonical SMILES for [2-(4-fluorophenyl)-2-oxoethyl] 2-(4-fluoroanilino)-4-oxo-4-phenylbutanoate is O=C(COC(=O)C(CC(=O)c1ccccc1)Nc1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of [2-(4-fluorophenyl)-2-oxoethyl] 2-(4-fluoroanilino)-4-oxo-4-phenylbutanoate?
The InChIKey is PWUIWZIQIWFFNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F2NO4/c25-18-8-6-17(7-9-18)23(29)15-31-24(30)21(27-20-12-10-19(26)11-13-20)14-22(28)16-4-2-1-3-5-16/h1-13,21,27H,14-15H2.
What are the key properties of [2-(4-fluorophenyl)-2-oxoethyl] 2-(4-fluoroanilino)-4-oxo-4-phenylbutanoate?
[2-(4-fluorophenyl)-2-oxoethyl] 2-(4-fluoroanilino)-4-oxo-4-phenylbutanoate has a molecular weight of 423.42 g/mol, XLogP of 4.44, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)-2-oxoethyl] 2-(4-fluoroanilino)-4-oxo-4-phenylbutanoate is sourced from PubChem (CID 3904587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).