1-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-N,N-dimethyl-2-propan-2-ylindole-6-carboxamide;1-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-2-propan-2-ylindole-6-carboxylic acid;1-[1-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-2-propan-2-ylindol-6-yl]-3-methylbutan-1-one;1-[1-benzyl-6-(hydroxymethyl)-2-propan-2-ylindol-3-yl]-3-(3,4-difluorophenyl)propan-1-one;1-[1-benzyl-2-propan-2-yl-6-(pyrrolidine-1-carbonyl)indol-3-yl]-3-(3,4-difluorophenyl)propan-1-one

C150H147F10N7O11 — CID 157342410

IUPAC1-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-N,N-dimethyl-2-propan-2-ylindole-6-carboxamide;1-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-2-propan-2-ylindole-6-carboxylic acid;1-[1-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-2-propan-2-ylindol-6-yl]-3-methylbutan-1-one;1-[1-benzyl-6-(hydroxymethyl)-2-propan-2-ylindol-3-yl]-3-(3,4-difluorophenyl)propan-1-one;1-[1-benzyl-2-propan-2-yl-6-(pyrrolidine-1-carbonyl)indol-3-yl]-3-(3,4-difluorophenyl)propan-1-one
SMILESCC(C)CC(=O)c1ccc2c(C(=O)CCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ccccc3)c2c1.CC(C)c1c(C(=O)CCc2ccc(F)c(F)c2)c2ccc(C(=O)N(C)C)cc2n1Cc1ccccc1.CC(C)c1c(C(=O)CCc2ccc(F)c(F)c2)c2ccc(C(=O)N3CCCC3)cc2n1Cc1ccccc1.CC(C)c1c(C(=O)CCc2ccc(F)c(F)c2)c2ccc(C(=O)O)cc2n1Cc1ccccc1.CC(C)c1c(C(=O)CCc2ccc(F)c(F)c2)c2ccc(CO)cc2n1Cc1ccccc1
InChIInChI=1S/C32H32F2N2O2.C32H33F2NO2.C30H30F2N2O2.C28H25F2NO3.C28H27F2NO2/c1-21(2)31-30(29(37)15-11-22-10-14-26(33)27(34)18-22)25-13-12-24(32(38)35-16-6-7-17-35)19-28(25)36(31)20-23-8-4-3-5-9-23;1-20(2)16-30(37)24-12-13-25-28(18-24)35(19-23-8-6-5-7-9-23)32(21(3)4)31(25)29(36)15-11-22-10-14-26(33)27(34)17-22;1-19(2)29-28(27(35)15-11-20-10-14-24(31)25(32)16-20)23-13-12-22(30(36)33(3)4)17-26(23)34(29)18-21-8-6-5-7-9-21;1-17(2)27-26(25(32)13-9-18-8-12-22(29)23(30)14-18)21-11-10-20(28(33)34)15-24(21)31(27)16-19-6-4-3-5-7-19;1-18(2)28-27(26(33)13-10-19-9-12-23(29)24(30)14-19)22-11-8-21(17-32)15-25(22)31(28)16-20-6-4-3-5-7-20/h3-5,8-10,12-14,18-19,21H,6-7,11,15-17,20H2,1-2H3;5-10,12-14,17-18,20-21H,11,15-16,19H2,1-4H3;5-10,12-14,16-17,19H,11,15,18H2,1-4H3;3-8,10-12,14-15,17H,9,13,16H2,1-2H3,(H,33,34);3-9,11-12,14-15,18,32H,10,13,16-17H2,1-2H3
InChIKeyBGNZZEDWULKOQO-UHFFFAOYSA-N
MW2413.84 g/mol
LogP34.89
Rot. Bonds42

About 1-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-N,N-dimethyl-2-propan-2-ylindole-6-carboxamide;1-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-2-propan-2-ylindole-6-carboxylic acid;1-[1-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-2-propan-2-ylindol-6-yl]-3-methylbutan-1-one;1-[1-benzyl-6-(hydroxymethyl)-2-propan-2-ylindol-3-yl]-3-(3,4-difluorophenyl)propan-1-one;1-[1-benzyl-2-propan-2-yl-6-(pyrrolidine-1-carbonyl)indol-3-yl]-3-(3,4-difluorophenyl)propan-1-one

1-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-N,N-dimethyl-2-propan-2-ylindole-6-carboxamide;1-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-2-propan-2-ylindole-6-carboxylic acid;1-[1-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-2-propan-2-ylindol-6-yl]-3-methylbutan-1-one;1-[1-benzyl-6-(hydroxymethyl)-2-propan-2-ylindol-3-yl]-3-(3,4-difluorophenyl)propan-1-one;1-[1-benzyl-2-propan-2-yl-6-(pyrrolidine-1-carbonyl)indol-3-yl]-3-(3,4-difluorophenyl)propan-1-one (PubChem CID 157342410) has the molecular formula C150H147F10N7O11 and a molecular weight of 2413.84 g/mol. Its IUPAC name is 1-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-N,N-dimethyl-2-propan-2-ylindole-6-carboxamide;1-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-2-propan-2-ylindole-6-carboxylic acid;1-[1-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-2-propan-2-ylindol-6-yl]-3-methylbutan-1-one;1-[1-benzyl-6-(hydroxymethyl)-2-propan-2-ylindol-3-yl]-3-(3,4-difluorophenyl)propan-1-one;1-[1-benzyl-2-propan-2-yl-6-(pyrrolidine-1-carbonyl)indol-3-yl]-3-(3,4-difluorophenyl)propan-1-one.

Molecular Properties

Compound Name1-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-N,N-dimethyl-2-propan-2-ylindole-6-carboxamide;1-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-2-propan-2-ylindole-6-carboxylic acid;1-[1-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-2-propan-2-ylindol-6-yl]-3-methylbutan-1-one;1-[1-benzyl-6-(hydroxymethyl)-2-propan-2-ylindol-3-yl]-3-(3,4-difluorophenyl)propan-1-one;1-[1-benzyl-2-propan-2-yl-6-(pyrrolidine-1-carbonyl)indol-3-yl]-3-(3,4-difluorophenyl)propan-1-one
PubChem CID157342410
Molecular FormulaC150H147F10N7O11
Molecular Weight2413.84 g/mol
Exact Mass2412.10
IUPAC Name1-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-N,N-dimethyl-2-propan-2-ylindole-6-carboxamide;1-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-2-propan-2-ylindole-6-carboxylic acid;1-[1-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-2-propan-2-ylindol-6-yl]-3-methylbutan-1-one;1-[1-benzyl-6-(hydroxymethyl)-2-propan-2-ylindol-3-yl]-3-(3,4-difluorophenyl)propan-1-one;1-[1-benzyl-2-propan-2-yl-6-(pyrrolidine-1-carbonyl)indol-3-yl]-3-(3,4-difluorophenyl)propan-1-one
SMILESCC(C)CC(=O)c1ccc2c(C(=O)CCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ccccc3)c2c1.CC(C)c1c(C(=O)CCc2ccc(F)c(F)c2)c2ccc(C(=O)N(C)C)cc2n1Cc1ccccc1.CC(C)c1c(C(=O)CCc2ccc(F)c(F)c2)c2ccc(C(=O)N3CCCC3)cc2n1Cc1ccccc1.CC(C)c1c(C(=O)CCc2ccc(F)c(F)c2)c2ccc(C(=O)O)cc2n1Cc1ccccc1.CC(C)c1c(C(=O)CCc2ccc(F)c(F)c2)c2ccc(CO)cc2n1Cc1ccccc1
InChIInChI=1S/C32H32F2N2O2.C32H33F2NO2.C30H30F2N2O2.C28H25F2NO3.C28H27F2NO2/c1-21(2)31-30(29(37)15-11-22-10-14-26(33)27(34)18-22)25-13-12-24(32(38)35-16-6-7-17-35)19-28(25)36(31)20-23-8-4-3-5-9-23;1-20(2)16-30(37)24-12-13-25-28(18-24)35(19-23-8-6-5-7-9-23)32(21(3)4)31(25)29(36)15-11-22-10-14-26(33)27(34)17-22;1-19(2)29-28(27(35)15-11-20-10-14-24(31)25(32)16-20)23-13-12-22(30(36)33(3)4)17-26(23)34(29)18-21-8-6-5-7-9-21;1-17(2)27-26(25(32)13-9-18-8-12-22(29)23(30)14-18)21-11-10-20(28(33)34)15-24(21)31(27)16-19-6-4-3-5-7-19;1-18(2)28-27(26(33)13-10-19-9-12-23(29)24(30)14-19)22-11-8-21(17-32)15-25(22)31(28)16-20-6-4-3-5-7-20/h3-5,8-10,12-14,18-19,21H,6-7,11,15-17,20H2,1-2H3;5-10,12-14,17-18,20-21H,11,15-16,19H2,1-4H3;5-10,12-14,16-17,19H,11,15,18H2,1-4H3;3-8,10-12,14-15,17H,9,13,16H2,1-2H3,(H,33,34);3-9,11-12,14-15,18,32H,10,13,16-17H2,1-2H3
InChIKeyBGNZZEDWULKOQO-UHFFFAOYSA-N
XLogP34.89
TPSA225.22 Ų
H-Bond Donors2
H-Bond Acceptors15
Rotatable Bonds42
Heavy Atoms178
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002413.84
LogP ≤ 534.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1015

Analyze 1-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-N,N-dimethyl-2-propan-2-ylindole-6-carboxamide;1-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-2-propan-2-ylindole-6-carboxylic acid;1-[1-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-2-propan-2-ylindol-6-yl]-3-methylbutan-1-one;1-[1-benzyl-6-(hydroxymethyl)-2-propan-2-ylindol-3-yl]-3-(3,4-difluorophenyl)propan-1-one;1-[1-benzyl-2-propan-2-yl-6-(pyrrolidine-1-carbonyl)indol-3-yl]-3-(3,4-difluorophenyl)propan-1-one with MolForge

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Related Compounds

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3-(3-Fluorophenyl)-1-methylindole-6-carboxylic acid;3-(4-fluorophenyl)-1-methylindole-6-carboxylic acid;1-methyl-3-phenylindole-6-carboxylic acid;1-methyl-3-[4-(trifluoromethyl)phenyl]indole-6-carboxylic acid
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CID 158768097
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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-N,N-dimethyl-2-propan-2-ylindole-6-carboxamide;1-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-2-propan-2-ylindole-6-carboxylic acid;1-[1-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-2-propan-2-ylindol-6-yl]-3-methylbutan-1-one;1-[1-benzyl-6-(hydroxymethyl)-2-propan-2-ylindol-3-yl]-3-(3,4-difluorophenyl)propan-1-one;1-[1-benzyl-2-propan-2-yl-6-(pyrrolidine-1-carbonyl)indol-3-yl]-3-(3,4-difluorophenyl)propan-1-one?
The IUPAC name of 1-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-N,N-dimethyl-2-propan-2-ylindole-6-carboxamide;1-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-2-propan-2-ylindole-6-carboxylic acid;1-[1-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-2-propan-2-ylindol-6-yl]-3-methylbutan-1-one;1-[1-benzyl-6-(hydroxymethyl)-2-propan-2-ylindol-3-yl]-3-(3,4-difluorophenyl)propan-1-one;1-[1-benzyl-2-propan-2-yl-6-(pyrrolidine-1-carbonyl)indol-3-yl]-3-(3,4-difluorophenyl)propan-1-one (CID 157342410) is 1-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-N,N-dimethyl-2-propan-2-ylindole-6-carboxamide;1-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-2-propan-2-ylindole-6-carboxylic acid;1-[1-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-2-propan-2-ylindol-6-yl]-3-methylbutan-1-one;1-[1-benzyl-6-(hydroxymethyl)-2-propan-2-ylindol-3-yl]-3-(3,4-difluorophenyl)propan-1-one;1-[1-benzyl-2-propan-2-yl-6-(pyrrolidine-1-carbonyl)indol-3-yl]-3-(3,4-difluorophenyl)propan-1-one.
What is the SMILES notation for 1-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-N,N-dimethyl-2-propan-2-ylindole-6-carboxamide;1-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-2-propan-2-ylindole-6-carboxylic acid;1-[1-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-2-propan-2-ylindol-6-yl]-3-methylbutan-1-one;1-[1-benzyl-6-(hydroxymethyl)-2-propan-2-ylindol-3-yl]-3-(3,4-difluorophenyl)propan-1-one;1-[1-benzyl-2-propan-2-yl-6-(pyrrolidine-1-carbonyl)indol-3-yl]-3-(3,4-difluorophenyl)propan-1-one?
The canonical SMILES for 1-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-N,N-dimethyl-2-propan-2-ylindole-6-carboxamide;1-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-2-propan-2-ylindole-6-carboxylic acid;1-[1-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-2-propan-2-ylindol-6-yl]-3-methylbutan-1-one;1-[1-benzyl-6-(hydroxymethyl)-2-propan-2-ylindol-3-yl]-3-(3,4-difluorophenyl)propan-1-one;1-[1-benzyl-2-propan-2-yl-6-(pyrrolidine-1-carbonyl)indol-3-yl]-3-(3,4-difluorophenyl)propan-1-one is CC(C)CC(=O)c1ccc2c(C(=O)CCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ccccc3)c2c1.CC(C)c1c(C(=O)CCc2ccc(F)c(F)c2)c2ccc(C(=O)N(C)C)cc2n1Cc1ccccc1.CC(C)c1c(C(=O)CCc2ccc(F)c(F)c2)c2ccc(C(=O)N3CCCC3)cc2n1Cc1ccccc1.CC(C)c1c(C(=O)CCc2ccc(F)c(F)c2)c2ccc(C(=O)O)cc2n1Cc1ccccc1.CC(C)c1c(C(=O)CCc2ccc(F)c(F)c2)c2ccc(CO)cc2n1Cc1ccccc1.
What is the InChIKey of 1-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-N,N-dimethyl-2-propan-2-ylindole-6-carboxamide;1-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-2-propan-2-ylindole-6-carboxylic acid;1-[1-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-2-propan-2-ylindol-6-yl]-3-methylbutan-1-one;1-[1-benzyl-6-(hydroxymethyl)-2-propan-2-ylindol-3-yl]-3-(3,4-difluorophenyl)propan-1-one;1-[1-benzyl-2-propan-2-yl-6-(pyrrolidine-1-carbonyl)indol-3-yl]-3-(3,4-difluorophenyl)propan-1-one?
The InChIKey is BGNZZEDWULKOQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32F2N2O2.C32H33F2NO2.C30H30F2N2O2.C28H25F2NO3.C28H27F2NO2/c1-21(2)31-30(29(37)15-11-22-10-14-26(33)27(34)18-22)25-13-12-24(32(38)35-16-6-7-17-35)19-28(25)36(31)20-23-8-4-3-5-9-23;1-20(2)16-30(37)24-12-13-25-28(18-24)35(19-23-8-6-5-7-9-23)32(21(3)4)31(25)29(36)15-11-22-10-14-26(33)27(34)17-22;1-19(2)29-28(27(35)15-11-20-10-14-24(31)25(32)16-20)23-13-12-22(30(36)33(3)4)17-26(23)34(29)18-21-8-6-5-7-9-21;1-17(2)27-26(25(32)13-9-18-8-12-22(29)23(30)14-18)21-11-10-20(28(33)34)15-24(21)31(27)16-19-6-4-3-5-7-19;1-18(2)28-27(26(33)13-10-19-9-12-23(29)24(30)14-19)22-11-8-21(17-32)15-25(22)31(28)16-20-6-4-3-5-7-20/h3-5,8-10,12-14,18-19,21H,6-7,11,15-17,20H2,1-2H3;5-10,12-14,17-18,20-21H,11,15-16,19H2,1-4H3;5-10,12-14,16-17,19H,11,15,18H2,1-4H3;3-8,10-12,14-15,17H,9,13,16H2,1-2H3,(H,33,34);3-9,11-12,14-15,18,32H,10,13,16-17H2,1-2H3.
What are the key properties of 1-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-N,N-dimethyl-2-propan-2-ylindole-6-carboxamide;1-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-2-propan-2-ylindole-6-carboxylic acid;1-[1-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-2-propan-2-ylindol-6-yl]-3-methylbutan-1-one;1-[1-benzyl-6-(hydroxymethyl)-2-propan-2-ylindol-3-yl]-3-(3,4-difluorophenyl)propan-1-one;1-[1-benzyl-2-propan-2-yl-6-(pyrrolidine-1-carbonyl)indol-3-yl]-3-(3,4-difluorophenyl)propan-1-one?
1-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-N,N-dimethyl-2-propan-2-ylindole-6-carboxamide;1-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-2-propan-2-ylindole-6-carboxylic acid;1-[1-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-2-propan-2-ylindol-6-yl]-3-methylbutan-1-one;1-[1-benzyl-6-(hydroxymethyl)-2-propan-2-ylindol-3-yl]-3-(3,4-difluorophenyl)propan-1-one;1-[1-benzyl-2-propan-2-yl-6-(pyrrolidine-1-carbonyl)indol-3-yl]-3-(3,4-difluorophenyl)propan-1-one has a molecular weight of 2413.84 g/mol, XLogP of 34.89, 42 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-N,N-dimethyl-2-propan-2-ylindole-6-carboxamide;1-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-2-propan-2-ylindole-6-carboxylic acid;1-[1-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-2-propan-2-ylindol-6-yl]-3-methylbutan-1-one;1-[1-benzyl-6-(hydroxymethyl)-2-propan-2-ylindol-3-yl]-3-(3,4-difluorophenyl)propan-1-one;1-[1-benzyl-2-propan-2-yl-6-(pyrrolidine-1-carbonyl)indol-3-yl]-3-(3,4-difluorophenyl)propan-1-one is sourced from PubChem (CID 157342410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).