[2-(4-fluorophenyl)-2-oxoethyl] 2-(2,3-dichloroanilino)-4-oxo-4-phenylbutanoate

C24H18Cl2FNO4 — CID 2931741

IUPAC[2-(4-fluorophenyl)-2-oxoethyl] 2-(2,3-dichloroanilino)-4-oxo-4-phenylbutanoate
SMILESO=C(COC(=O)C(CC(=O)c1ccccc1)Nc1cccc(Cl)c1Cl)c1ccc(F)cc1
InChIInChI=1S/C24H18Cl2FNO4/c25-18-7-4-8-19(23(18)26)28-20(13-21(29)15-5-2-1-3-6-15)24(31)32-14-22(30)16-9-11-17(27)12-10-16/h1-12,20,28H,13-14H2
InChIKeyUBGXYBRDSMOTEG-UHFFFAOYSA-N
MW474.32 g/mol
LogP5.61
Rot. Bonds9

About [2-(4-fluorophenyl)-2-oxoethyl] 2-(2,3-dichloroanilino)-4-oxo-4-phenylbutanoate

[2-(4-fluorophenyl)-2-oxoethyl] 2-(2,3-dichloroanilino)-4-oxo-4-phenylbutanoate (PubChem CID 2931741) has the molecular formula C24H18Cl2FNO4 and a molecular weight of 474.32 g/mol. Its IUPAC name is [2-(4-fluorophenyl)-2-oxoethyl] 2-(2,3-dichloroanilino)-4-oxo-4-phenylbutanoate.

Molecular Properties

Compound Name[2-(4-fluorophenyl)-2-oxoethyl] 2-(2,3-dichloroanilino)-4-oxo-4-phenylbutanoate
PubChem CID2931741
Molecular FormulaC24H18Cl2FNO4
Molecular Weight474.32 g/mol
Exact Mass473.06
IUPAC Name[2-(4-fluorophenyl)-2-oxoethyl] 2-(2,3-dichloroanilino)-4-oxo-4-phenylbutanoate
SMILESO=C(COC(=O)C(CC(=O)c1ccccc1)Nc1cccc(Cl)c1Cl)c1ccc(F)cc1
InChIInChI=1S/C24H18Cl2FNO4/c25-18-7-4-8-19(23(18)26)28-20(13-21(29)15-5-2-1-3-6-15)24(31)32-14-22(30)16-9-11-17(27)12-10-16/h1-12,20,28H,13-14H2
InChIKeyUBGXYBRDSMOTEG-UHFFFAOYSA-N
XLogP5.61
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.32
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-(4-fluorophenyl)-2-oxoethyl] 2-(2,3-dichloroanilino)-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

Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)-2-oxoethyl] 2-(2,3-dichloroanilino)-4-oxo-4-phenylbutanoate?
The IUPAC name of [2-(4-fluorophenyl)-2-oxoethyl] 2-(2,3-dichloroanilino)-4-oxo-4-phenylbutanoate (CID 2931741) is [2-(4-fluorophenyl)-2-oxoethyl] 2-(2,3-dichloroanilino)-4-oxo-4-phenylbutanoate.
What is the SMILES notation for [2-(4-fluorophenyl)-2-oxoethyl] 2-(2,3-dichloroanilino)-4-oxo-4-phenylbutanoate?
The canonical SMILES for [2-(4-fluorophenyl)-2-oxoethyl] 2-(2,3-dichloroanilino)-4-oxo-4-phenylbutanoate is O=C(COC(=O)C(CC(=O)c1ccccc1)Nc1cccc(Cl)c1Cl)c1ccc(F)cc1.
What is the InChIKey of [2-(4-fluorophenyl)-2-oxoethyl] 2-(2,3-dichloroanilino)-4-oxo-4-phenylbutanoate?
The InChIKey is UBGXYBRDSMOTEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18Cl2FNO4/c25-18-7-4-8-19(23(18)26)28-20(13-21(29)15-5-2-1-3-6-15)24(31)32-14-22(30)16-9-11-17(27)12-10-16/h1-12,20,28H,13-14H2.
What are the key properties of [2-(4-fluorophenyl)-2-oxoethyl] 2-(2,3-dichloroanilino)-4-oxo-4-phenylbutanoate?
[2-(4-fluorophenyl)-2-oxoethyl] 2-(2,3-dichloroanilino)-4-oxo-4-phenylbutanoate has a molecular weight of 474.32 g/mol, XLogP of 5.61, 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-(2,3-dichloroanilino)-4-oxo-4-phenylbutanoate is sourced from PubChem (CID 2931741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).