4-(2,4-difluorophenyl)-4-oxo-2-(5-phenyl-1H-indol-3-yl)butanoic acid

C24H17F2NO3 — CID 129225145

IUPAC4-(2,4-difluorophenyl)-4-oxo-2-(5-phenyl-1H-indol-3-yl)butanoic acid
SMILESO=C(CC(C(=O)O)c1c[nH]c2ccc(-c3ccccc3)cc12)c1ccc(F)cc1F
InChIInChI=1S/C24H17F2NO3/c25-16-7-8-17(21(26)11-16)23(28)12-19(24(29)30)20-13-27-22-9-6-15(10-18(20)22)14-4-2-1-3-5-14/h1-11,13,19,27H,12H2,(H,29,30)
InChIKeyQRFNEWRYGZRWBN-UHFFFAOYSA-N
MW405.40 g/mol
LogP5.55
Rot. Bonds6

About 4-(2,4-difluorophenyl)-4-oxo-2-(5-phenyl-1H-indol-3-yl)butanoic acid

4-(2,4-difluorophenyl)-4-oxo-2-(5-phenyl-1H-indol-3-yl)butanoic acid (PubChem CID 129225145) has the molecular formula C24H17F2NO3 and a molecular weight of 405.40 g/mol. Its IUPAC name is 4-(2,4-difluorophenyl)-4-oxo-2-(5-phenyl-1H-indol-3-yl)butanoic acid.

Molecular Properties

Compound Name4-(2,4-difluorophenyl)-4-oxo-2-(5-phenyl-1H-indol-3-yl)butanoic acid
PubChem CID129225145
Molecular FormulaC24H17F2NO3
Molecular Weight405.40 g/mol
Exact Mass405.12
IUPAC Name4-(2,4-difluorophenyl)-4-oxo-2-(5-phenyl-1H-indol-3-yl)butanoic acid
SMILESO=C(CC(C(=O)O)c1c[nH]c2ccc(-c3ccccc3)cc12)c1ccc(F)cc1F
InChIInChI=1S/C24H17F2NO3/c25-16-7-8-17(21(26)11-16)23(28)12-19(24(29)30)20-13-27-22-9-6-15(10-18(20)22)14-4-2-1-3-5-14/h1-11,13,19,27H,12H2,(H,29,30)
InChIKeyQRFNEWRYGZRWBN-UHFFFAOYSA-N
XLogP5.55
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.40
LogP ≤ 55.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-(2,4-difluorophenyl)-4-oxo-2-(5-phenyl-1H-indol-3-yl)butanoic acid 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 4-(2,4-difluorophenyl)-4-oxo-2-(5-phenyl-1H-indol-3-yl)butanoic acid?
The IUPAC name of 4-(2,4-difluorophenyl)-4-oxo-2-(5-phenyl-1H-indol-3-yl)butanoic acid (CID 129225145) is 4-(2,4-difluorophenyl)-4-oxo-2-(5-phenyl-1H-indol-3-yl)butanoic acid.
What is the SMILES notation for 4-(2,4-difluorophenyl)-4-oxo-2-(5-phenyl-1H-indol-3-yl)butanoic acid?
The canonical SMILES for 4-(2,4-difluorophenyl)-4-oxo-2-(5-phenyl-1H-indol-3-yl)butanoic acid is O=C(CC(C(=O)O)c1c[nH]c2ccc(-c3ccccc3)cc12)c1ccc(F)cc1F.
What is the InChIKey of 4-(2,4-difluorophenyl)-4-oxo-2-(5-phenyl-1H-indol-3-yl)butanoic acid?
The InChIKey is QRFNEWRYGZRWBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F2NO3/c25-16-7-8-17(21(26)11-16)23(28)12-19(24(29)30)20-13-27-22-9-6-15(10-18(20)22)14-4-2-1-3-5-14/h1-11,13,19,27H,12H2,(H,29,30).
What are the key properties of 4-(2,4-difluorophenyl)-4-oxo-2-(5-phenyl-1H-indol-3-yl)butanoic acid?
4-(2,4-difluorophenyl)-4-oxo-2-(5-phenyl-1H-indol-3-yl)butanoic acid has a molecular weight of 405.40 g/mol, XLogP of 5.55, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluorophenyl)-4-oxo-2-(5-phenyl-1H-indol-3-yl)butanoic acid is sourced from PubChem (CID 129225145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).