4-(2,4-difluorophenyl)-2-(3-methyl-3H-inden-1-yl)-4-oxobutanoic acid;4-(2,4-difluorophenyl)-2-(4-methyl-1H-indol-3-yl)-4-oxobutanoic acid;4-(2,4-difluorophenyl)-2-(5-methyl-1H-indol-3-yl)-4-oxobutanoic acid;4-(2,4-difluorophenyl)-2-(6-methyl-1H-indol-3-yl)-4-oxobutanoic acid;4-(2,4-difluorophenyl)-2-(7-methyl-1H-indol-3-yl)-4-oxobutanoic acid

C96H76F10N4O15 — CID 157152375

About 4-(2,4-difluorophenyl)-2-(3-methyl-3H-inden-1-yl)-4-oxobutanoic acid;4-(2,4-difluorophenyl)-2-(4-methyl-1H-indol-3-yl)-4-oxobutanoic acid;4-(2,4-difluorophenyl)-2-(5-methyl-1H-indol-3-yl)-4-oxobutanoic acid;4-(2,4-difluorophenyl)-2-(6-methyl-1H-indol-3-yl)-4-oxobutanoic acid;4-(2,4-difluorophenyl)-2-(7-methyl-1H-indol-3-yl)-4-oxobutanoic acid

4-(2,4-difluorophenyl)-2-(3-methyl-3H-inden-1-yl)-4-oxobutanoic acid;4-(2,4-difluorophenyl)-2-(4-methyl-1H-indol-3-yl)-4-oxobutanoic acid;4-(2,4-difluorophenyl)-2-(5-methyl-1H-indol-3-yl)-4-oxobutanoic acid;4-(2,4-difluorophenyl)-2-(6-methyl-1H-indol-3-yl)-4-oxobutanoic acid;4-(2,4-difluorophenyl)-2-(7-methyl-1H-indol-3-yl)-4-oxobutanoic acid (PubChem CID 157152375) has the molecular formula C96H76F10N4O15 and a molecular weight of 1715.66 g/mol. Its IUPAC name is 4-(2,4-difluorophenyl)-2-(3-methyl-3H-inden-1-yl)-4-oxobutanoic acid;4-(2,4-difluorophenyl)-2-(4-methyl-1H-indol-3-yl)-4-oxobutanoic acid;4-(2,4-difluorophenyl)-2-(5-methyl-1H-indol-3-yl)-4-oxobutanoic acid;4-(2,4-difluorophenyl)-2-(6-methyl-1H-indol-3-yl)-4-oxobutanoic acid;4-(2,4-difluorophenyl)-2-(7-methyl-1H-indol-3-yl)-4-oxobutanoic acid.

Molecular Properties

• Compound Name: 4-(2,4-difluorophenyl)-2-(3-methyl-3H-inden-1-yl)-4-oxobutanoic acid;4-(2,4-difluorophenyl)-2-(4-methyl-1H-indol-3-yl)-4-oxobutanoic acid;4-(2,4-difluorophenyl)-2-(5-methyl-1H-indol-3-yl)-4-oxobutanoic acid;4-(2,4-difluorophenyl)-2-(6-methyl-1H-indol-3-yl)-4-oxobutanoic acid;4-(2,4-difluorophenyl)-2-(7-methyl-1H-indol-3-yl)-4-oxobutanoic acid
• PubChem CID: 157152375
• Molecular Formula: C96H76F10N4O15
• Molecular Weight: 1715.66 g/mol
• Exact Mass: 1714.51
• IUPAC Name: 4-(2,4-difluorophenyl)-2-(3-methyl-3H-inden-1-yl)-4-oxobutanoic acid;4-(2,4-difluorophenyl)-2-(4-methyl-1H-indol-3-yl)-4-oxobutanoic acid;4-(2,4-difluorophenyl)-2-(5-methyl-1H-indol-3-yl)-4-oxobutanoic acid;4-(2,4-difluorophenyl)-2-(6-methyl-1H-indol-3-yl)-4-oxobutanoic acid;4-(2,4-difluorophenyl)-2-(7-methyl-1H-indol-3-yl)-4-oxobutanoic acid
• SMILES: CC1C=C(C(CC(=O)c2ccc(F)cc2F)C(=O)O)c2ccccc21.Cc1ccc2[nH]cc(C(CC(=O)c3ccc(F)cc3F)C(=O)O)c2c1.Cc1ccc2c(C(CC(=O)c3ccc(F)cc3F)C(=O)O)c[nH]c2c1.Cc1cccc2[nH]cc(C(CC(=O)c3ccc(F)cc3F)C(=O)O)c12.Cc1cccc2c(C(CC(=O)c3ccc(F)cc3F)C(=O)O)c[nH]c12
• InChI: InChI=1S/C20H16F2O3.4C19H15F2NO3/c1-11-8-16(14-5-3-2-4-13(11)14)17(20(24)25)10-19(23)15-7-6-12(21)9-18(15)22;1-10-2-5-17-13(6-10)15(9-22-17)14(19(24)25)8-18(23)12-4-3-11(20)7-16(12)21;1-10-2-4-12-15(9-22-17(12)6-10)14(19(24)25)8-18(23)13-5-3-11(20)7-16(13)21;1-10-3-2-4-16-18(10)14(9-22-16)13(19(24)25)8-17(23)12-6-5-11(20)7-15(12)21;1-10-3-2-4-12-15(9-22-18(10)12)14(19(24)25)8-17(23)13-6-5-11(20)7-16(13)21/h2-9,11,17H,10H2,1H3,(H,24,25);2*2-7,9,14,22H,8H2,1H3,(H,24,25);2-7,9,13,22H,8H2,1H3,(H,24,25);2-7,9,14,22H,8H2,1H3,(H,24,25)
• InChIKey: ALKFVHSAPQTIQE-UHFFFAOYSA-N
• XLogP: 21.22
• TPSA: 335.01 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 10
• Rotatable Bonds: 25
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1715.66
LogP ≤ 5	21.22
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenyl)-2-(3-methyl-3H-inden-1-yl)-4-oxobutanoic acid;4-(2,4-difluorophenyl)-2-(4-methyl-1H-indol-3-yl)-4-oxobutanoic acid;4-(2,4-difluorophenyl)-2-(5-methyl-1H-indol-3-yl)-4-oxobutanoic acid;4-(2,4-difluorophenyl)-2-(6-methyl-1H-indol-3-yl)-4-oxobutanoic acid;4-(2,4-difluorophenyl)-2-(7-methyl-1H-indol-3-yl)-4-oxobutanoic acid?

The IUPAC name of 4-(2,4-difluorophenyl)-2-(3-methyl-3H-inden-1-yl)-4-oxobutanoic acid;4-(2,4-difluorophenyl)-2-(4-methyl-1H-indol-3-yl)-4-oxobutanoic acid;4-(2,4-difluorophenyl)-2-(5-methyl-1H-indol-3-yl)-4-oxobutanoic acid;4-(2,4-difluorophenyl)-2-(6-methyl-1H-indol-3-yl)-4-oxobutanoic acid;4-(2,4-difluorophenyl)-2-(7-methyl-1H-indol-3-yl)-4-oxobutanoic acid (CID 157152375) is 4-(2,4-difluorophenyl)-2-(3-methyl-3H-inden-1-yl)-4-oxobutanoic acid;4-(2,4-difluorophenyl)-2-(4-methyl-1H-indol-3-yl)-4-oxobutanoic acid;4-(2,4-difluorophenyl)-2-(5-methyl-1H-indol-3-yl)-4-oxobutanoic acid;4-(2,4-difluorophenyl)-2-(6-methyl-1H-indol-3-yl)-4-oxobutanoic acid;4-(2,4-difluorophenyl)-2-(7-methyl-1H-indol-3-yl)-4-oxobutanoic acid.

What is the SMILES notation for 4-(2,4-difluorophenyl)-2-(3-methyl-3H-inden-1-yl)-4-oxobutanoic acid;4-(2,4-difluorophenyl)-2-(4-methyl-1H-indol-3-yl)-4-oxobutanoic acid;4-(2,4-difluorophenyl)-2-(5-methyl-1H-indol-3-yl)-4-oxobutanoic acid;4-(2,4-difluorophenyl)-2-(6-methyl-1H-indol-3-yl)-4-oxobutanoic acid;4-(2,4-difluorophenyl)-2-(7-methyl-1H-indol-3-yl)-4-oxobutanoic acid?

The canonical SMILES for 4-(2,4-difluorophenyl)-2-(3-methyl-3H-inden-1-yl)-4-oxobutanoic acid;4-(2,4-difluorophenyl)-2-(4-methyl-1H-indol-3-yl)-4-oxobutanoic acid;4-(2,4-difluorophenyl)-2-(5-methyl-1H-indol-3-yl)-4-oxobutanoic acid;4-(2,4-difluorophenyl)-2-(6-methyl-1H-indol-3-yl)-4-oxobutanoic acid;4-(2,4-difluorophenyl)-2-(7-methyl-1H-indol-3-yl)-4-oxobutanoic acid is CC1C=C(C(CC(=O)c2ccc(F)cc2F)C(=O)O)c2ccccc21.Cc1ccc2[nH]cc(C(CC(=O)c3ccc(F)cc3F)C(=O)O)c2c1.Cc1ccc2c(C(CC(=O)c3ccc(F)cc3F)C(=O)O)c[nH]c2c1.Cc1cccc2[nH]cc(C(CC(=O)c3ccc(F)cc3F)C(=O)O)c12.Cc1cccc2c(C(CC(=O)c3ccc(F)cc3F)C(=O)O)c[nH]c12.

What is the InChIKey of 4-(2,4-difluorophenyl)-2-(3-methyl-3H-inden-1-yl)-4-oxobutanoic acid;4-(2,4-difluorophenyl)-2-(4-methyl-1H-indol-3-yl)-4-oxobutanoic acid;4-(2,4-difluorophenyl)-2-(5-methyl-1H-indol-3-yl)-4-oxobutanoic acid;4-(2,4-difluorophenyl)-2-(6-methyl-1H-indol-3-yl)-4-oxobutanoic acid;4-(2,4-difluorophenyl)-2-(7-methyl-1H-indol-3-yl)-4-oxobutanoic acid?

The InChIKey is ALKFVHSAPQTIQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2O3.4C19H15F2NO3/c1-11-8-16(14-5-3-2-4-13(11)14)17(20(24)25)10-19(23)15-7-6-12(21)9-18(15)22;1-10-2-5-17-13(6-10)15(9-22-17)14(19(24)25)8-18(23)12-4-3-11(20)7-16(12)21;1-10-2-4-12-15(9-22-17(12)6-10)14(19(24)25)8-18(23)13-5-3-11(20)7-16(13)21;1-10-3-2-4-16-18(10)14(9-22-16)13(19(24)25)8-17(23)12-6-5-11(20)7-15(12)21;1-10-3-2-4-12-15(9-22-18(10)12)14(19(24)25)8-17(23)13-6-5-11(20)7-16(13)21/h2-9,11,17H,10H2,1H3,(H,24,25);2*2-7,9,14,22H,8H2,1H3,(H,24,25);2-7,9,13,22H,8H2,1H3,(H,24,25);2-7,9,14,22H,8H2,1H3,(H,24,25).

What are the key properties of 4-(2,4-difluorophenyl)-2-(3-methyl-3H-inden-1-yl)-4-oxobutanoic acid;4-(2,4-difluorophenyl)-2-(4-methyl-1H-indol-3-yl)-4-oxobutanoic acid;4-(2,4-difluorophenyl)-2-(5-methyl-1H-indol-3-yl)-4-oxobutanoic acid;4-(2,4-difluorophenyl)-2-(6-methyl-1H-indol-3-yl)-4-oxobutanoic acid;4-(2,4-difluorophenyl)-2-(7-methyl-1H-indol-3-yl)-4-oxobutanoic acid?

4-(2,4-difluorophenyl)-2-(3-methyl-3H-inden-1-yl)-4-oxobutanoic acid;4-(2,4-difluorophenyl)-2-(4-methyl-1H-indol-3-yl)-4-oxobutanoic acid;4-(2,4-difluorophenyl)-2-(5-methyl-1H-indol-3-yl)-4-oxobutanoic acid;4-(2,4-difluorophenyl)-2-(6-methyl-1H-indol-3-yl)-4-oxobutanoic acid;4-(2,4-difluorophenyl)-2-(7-methyl-1H-indol-3-yl)-4-oxobutanoic acid has a molecular weight of 1715.66 g/mol, XLogP of 21.22, 25 rotatable bonds, 9 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2,4-difluorophenyl)-2-(3-methyl-3H-inden-1-yl)-4-oxobutanoic acid;4-(2,4-difluorophenyl)-2-(4-methyl-1H-indol-3-yl)-4-oxobutanoic acid;4-(2,4-difluorophenyl)-2-(5-methyl-1H-indol-3-yl)-4-oxobutanoic acid;4-(2,4-difluorophenyl)-2-(6-methyl-1H-indol-3-yl)-4-oxobutanoic acid;4-(2,4-difluorophenyl)-2-(7-methyl-1H-indol-3-yl)-4-oxobutanoic acid is sourced from PubChem (CID 157152375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).