4-(2,4-difluorophenyl)-2-(4-ethyl-1H-indol-3-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)-4-oxo-2-(4-propan-2-yl-1H-indol-3-yl)butanoic acid;4-(2,4-difluorophenyl)-4-oxo-2-(4-propyl-1H-indol-3-yl)butanoic acid

C100H85F10N5O15 — CID 158377058

IUPAC4-(2,4-difluorophenyl)-2-(4-ethyl-1H-indol-3-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)-4-oxo-2-(4-propan-2-yl-1H-indol-3-yl)butanoic acid;4-(2,4-difluorophenyl)-4-oxo-2-(4-propyl-1H-indol-3-yl)butanoic acid
SMILESCC(C)c1cccc2[nH]cc(C(CC(=O)c3ccc(F)cc3F)C(=O)O)c12.CCCc1cccc2[nH]cc(C(CC(=O)c3ccc(F)cc3F)C(=O)O)c12.CCc1cccc2[nH]cc(C(CC(=O)c3ccc(F)cc3F)C(=O)O)c12.Cc1ccc2[nH]cc(C(CC(=O)c3ccc(F)cc3F)C(=O)O)c2c1.Cc1cccc2[nH]cc(C(CC(=O)c3ccc(F)cc3F)C(=O)O)c12
InChIInChI=1S/2C21H19F2NO3.C20H17F2NO3.2C19H15F2NO3/c1-11(2)13-4-3-5-18-20(13)16(10-24-18)15(21(26)27)9-19(25)14-7-6-12(22)8-17(14)23;1-2-4-12-5-3-6-18-20(12)16(11-24-18)15(21(26)27)10-19(25)14-8-7-13(22)9-17(14)23;1-2-11-4-3-5-17-19(11)15(10-23-17)14(20(25)26)9-18(24)13-7-6-12(21)8-16(13)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;1-10-3-2-4-16-18(10)14(9-22-16)13(19(24)25)8-17(23)12-6-5-11(20)7-15(12)21/h3-8,10-11,15,24H,9H2,1-2H3,(H,26,27);3,5-9,11,15,24H,2,4,10H2,1H3,(H,26,27);3-8,10,14,23H,2,9H2,1H3,(H,25,26);2-7,9,14,22H,8H2,1H3,(H,24,25);2-7,9,13,22H,8H2,1H3,(H,24,25)
InChIKeyGVIFJQGOTGRTHJ-UHFFFAOYSA-N
MW1786.78 g/mol
LogP22.69
Rot. Bonds29

About 4-(2,4-difluorophenyl)-2-(4-ethyl-1H-indol-3-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)-4-oxo-2-(4-propan-2-yl-1H-indol-3-yl)butanoic acid;4-(2,4-difluorophenyl)-4-oxo-2-(4-propyl-1H-indol-3-yl)butanoic acid

4-(2,4-difluorophenyl)-2-(4-ethyl-1H-indol-3-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)-4-oxo-2-(4-propan-2-yl-1H-indol-3-yl)butanoic acid;4-(2,4-difluorophenyl)-4-oxo-2-(4-propyl-1H-indol-3-yl)butanoic acid (PubChem CID 158377058) has the molecular formula C100H85F10N5O15 and a molecular weight of 1786.78 g/mol. Its IUPAC name is 4-(2,4-difluorophenyl)-2-(4-ethyl-1H-indol-3-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)-4-oxo-2-(4-propan-2-yl-1H-indol-3-yl)butanoic acid;4-(2,4-difluorophenyl)-4-oxo-2-(4-propyl-1H-indol-3-yl)butanoic acid.

Molecular Properties

Compound Name4-(2,4-difluorophenyl)-2-(4-ethyl-1H-indol-3-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)-4-oxo-2-(4-propan-2-yl-1H-indol-3-yl)butanoic acid;4-(2,4-difluorophenyl)-4-oxo-2-(4-propyl-1H-indol-3-yl)butanoic acid
PubChem CID158377058
Molecular FormulaC100H85F10N5O15
Molecular Weight1786.78 g/mol
Exact Mass1785.59
IUPAC Name4-(2,4-difluorophenyl)-2-(4-ethyl-1H-indol-3-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)-4-oxo-2-(4-propan-2-yl-1H-indol-3-yl)butanoic acid;4-(2,4-difluorophenyl)-4-oxo-2-(4-propyl-1H-indol-3-yl)butanoic acid
SMILESCC(C)c1cccc2[nH]cc(C(CC(=O)c3ccc(F)cc3F)C(=O)O)c12.CCCc1cccc2[nH]cc(C(CC(=O)c3ccc(F)cc3F)C(=O)O)c12.CCc1cccc2[nH]cc(C(CC(=O)c3ccc(F)cc3F)C(=O)O)c12.Cc1ccc2[nH]cc(C(CC(=O)c3ccc(F)cc3F)C(=O)O)c2c1.Cc1cccc2[nH]cc(C(CC(=O)c3ccc(F)cc3F)C(=O)O)c12
InChIInChI=1S/2C21H19F2NO3.C20H17F2NO3.2C19H15F2NO3/c1-11(2)13-4-3-5-18-20(13)16(10-24-18)15(21(26)27)9-19(25)14-7-6-12(22)8-17(14)23;1-2-4-12-5-3-6-18-20(12)16(11-24-18)15(21(26)27)10-19(25)14-8-7-13(22)9-17(14)23;1-2-11-4-3-5-17-19(11)15(10-23-17)14(20(25)26)9-18(24)13-7-6-12(21)8-16(13)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;1-10-3-2-4-16-18(10)14(9-22-16)13(19(24)25)8-17(23)12-6-5-11(20)7-15(12)21/h3-8,10-11,15,24H,9H2,1-2H3,(H,26,27);3,5-9,11,15,24H,2,4,10H2,1H3,(H,26,27);3-8,10,14,23H,2,9H2,1H3,(H,25,26);2-7,9,14,22H,8H2,1H3,(H,24,25);2-7,9,13,22H,8H2,1H3,(H,24,25)
InChIKeyGVIFJQGOTGRTHJ-UHFFFAOYSA-N
XLogP22.69
TPSA350.80 Ų
H-Bond Donors10
H-Bond Acceptors10
Rotatable Bonds29
Heavy Atoms130
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001786.78
LogP ≤ 522.69
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1010

Analyze 4-(2,4-difluorophenyl)-2-(4-ethyl-1H-indol-3-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)-4-oxo-2-(4-propan-2-yl-1H-indol-3-yl)butanoic acid;4-(2,4-difluorophenyl)-4-oxo-2-(4-propyl-1H-indol-3-yl)butanoic acid with MolForge

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Related Compounds

4-(2,4-difluorophenyl)-2-(7-ethyl-1H-indol-3-yl)-4-oxobutanoic acid
CID 129235177
4-(2,4-difluorophenyl)-2-(5-methoxy-1H-indol-3-yl)-4-oxobutanoic acid
CID 139328118
4-(2,4-difluorophenyl)-2-(6-ethyl-1H-indol-3-yl)-4-oxobutanoic acid
CID 139340122
4-(2,4-dimethylphenyl)-2-(6-fluoro-1H-indol-3-yl)-4-oxobutanoic acid
CID 147786619
4-(2,5-dimethylphenyl)-2-(1H-indol-3-yl)-4-oxobutanoic acid
CID 13077495
2-(5-fluoro-1H-indol-3-yl)hexanoic acid
CID 67748915
4-(2,4-difluorophenyl)-2-(1-methylindol-3-yl)-4-oxobutanoic acid
CID 139328131
(2R)-2-(1H-indol-3-yl)-4-(4-methylphenyl)-4-oxobutanoic acid
CID 927890
ethyl 4-amino-2-(5-fluoro-1H-indol-3-yl)butanoate
CID 57300309
5-chloro-1H-indole;2-(5-chloro-1H-indol-3-yl)-4-(2,4-difluorophenyl)-4-oxobutanoic acid;[(E)-3-(2,4-difluorophenyl)-3-oxoprop-1-enyl] formate
CID 159189108
1-(2,4-difluorophenyl)-3-(2,3-dimethylphenyl)propan-1-one
CID 24726261
4-methyl-3-propan-2-yl-1H-indole
CID 123915873

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenyl)-2-(4-ethyl-1H-indol-3-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)-4-oxo-2-(4-propan-2-yl-1H-indol-3-yl)butanoic acid;4-(2,4-difluorophenyl)-4-oxo-2-(4-propyl-1H-indol-3-yl)butanoic acid?
The IUPAC name of 4-(2,4-difluorophenyl)-2-(4-ethyl-1H-indol-3-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)-4-oxo-2-(4-propan-2-yl-1H-indol-3-yl)butanoic acid;4-(2,4-difluorophenyl)-4-oxo-2-(4-propyl-1H-indol-3-yl)butanoic acid (CID 158377058) is 4-(2,4-difluorophenyl)-2-(4-ethyl-1H-indol-3-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)-4-oxo-2-(4-propan-2-yl-1H-indol-3-yl)butanoic acid;4-(2,4-difluorophenyl)-4-oxo-2-(4-propyl-1H-indol-3-yl)butanoic acid.
What is the SMILES notation for 4-(2,4-difluorophenyl)-2-(4-ethyl-1H-indol-3-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)-4-oxo-2-(4-propan-2-yl-1H-indol-3-yl)butanoic acid;4-(2,4-difluorophenyl)-4-oxo-2-(4-propyl-1H-indol-3-yl)butanoic acid?
The canonical SMILES for 4-(2,4-difluorophenyl)-2-(4-ethyl-1H-indol-3-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)-4-oxo-2-(4-propan-2-yl-1H-indol-3-yl)butanoic acid;4-(2,4-difluorophenyl)-4-oxo-2-(4-propyl-1H-indol-3-yl)butanoic acid is CC(C)c1cccc2[nH]cc(C(CC(=O)c3ccc(F)cc3F)C(=O)O)c12.CCCc1cccc2[nH]cc(C(CC(=O)c3ccc(F)cc3F)C(=O)O)c12.CCc1cccc2[nH]cc(C(CC(=O)c3ccc(F)cc3F)C(=O)O)c12.Cc1ccc2[nH]cc(C(CC(=O)c3ccc(F)cc3F)C(=O)O)c2c1.Cc1cccc2[nH]cc(C(CC(=O)c3ccc(F)cc3F)C(=O)O)c12.
What is the InChIKey of 4-(2,4-difluorophenyl)-2-(4-ethyl-1H-indol-3-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)-4-oxo-2-(4-propan-2-yl-1H-indol-3-yl)butanoic acid;4-(2,4-difluorophenyl)-4-oxo-2-(4-propyl-1H-indol-3-yl)butanoic acid?
The InChIKey is GVIFJQGOTGRTHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H19F2NO3.C20H17F2NO3.2C19H15F2NO3/c1-11(2)13-4-3-5-18-20(13)16(10-24-18)15(21(26)27)9-19(25)14-7-6-12(22)8-17(14)23;1-2-4-12-5-3-6-18-20(12)16(11-24-18)15(21(26)27)10-19(25)14-8-7-13(22)9-17(14)23;1-2-11-4-3-5-17-19(11)15(10-23-17)14(20(25)26)9-18(24)13-7-6-12(21)8-16(13)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;1-10-3-2-4-16-18(10)14(9-22-16)13(19(24)25)8-17(23)12-6-5-11(20)7-15(12)21/h3-8,10-11,15,24H,9H2,1-2H3,(H,26,27);3,5-9,11,15,24H,2,4,10H2,1H3,(H,26,27);3-8,10,14,23H,2,9H2,1H3,(H,25,26);2-7,9,14,22H,8H2,1H3,(H,24,25);2-7,9,13,22H,8H2,1H3,(H,24,25).
What are the key properties of 4-(2,4-difluorophenyl)-2-(4-ethyl-1H-indol-3-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)-4-oxo-2-(4-propan-2-yl-1H-indol-3-yl)butanoic acid;4-(2,4-difluorophenyl)-4-oxo-2-(4-propyl-1H-indol-3-yl)butanoic acid?
4-(2,4-difluorophenyl)-2-(4-ethyl-1H-indol-3-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)-4-oxo-2-(4-propan-2-yl-1H-indol-3-yl)butanoic acid;4-(2,4-difluorophenyl)-4-oxo-2-(4-propyl-1H-indol-3-yl)butanoic acid has a molecular weight of 1786.78 g/mol, XLogP of 22.69, 29 rotatable bonds, 10 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluorophenyl)-2-(4-ethyl-1H-indol-3-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)-4-oxo-2-(4-propan-2-yl-1H-indol-3-yl)butanoic acid;4-(2,4-difluorophenyl)-4-oxo-2-(4-propyl-1H-indol-3-yl)butanoic acid is sourced from PubChem (CID 158377058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).