3-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]methyl]-N-(3-fluorophenyl)benzamide;3-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]methyl]-N-(3-methoxyphenyl)benzamide;3-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]methyl]-N-phenylbenzamide;3-[1-[3-(dimethylamino)propyl]indol-5-yl]oxy-N-(4-fluorophenyl)benzamide

C114H126F2N12O6 — CID 159418291

IUPAC3-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]methyl]-N-(3-fluorophenyl)benzamide;3-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]methyl]-N-(3-methoxyphenyl)benzamide;3-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]methyl]-N-phenylbenzamide;3-[1-[3-(dimethylamino)propyl]indol-5-yl]oxy-N-(4-fluorophenyl)benzamide
SMILESCN(C)CCCn1ccc2cc(Oc3cccc(C(=O)Nc4ccc(F)cc4)c3)ccc21.COc1cccc(NC(=O)c2cccc(Cc3ccc4c(c3)c(C)c(C)n4CCCN(C)C)c2)c1.Cc1c(C)n(CCCN(C)C)c2ccc(Cc3cccc(C(=O)Nc4cccc(F)c4)c3)cc12.Cc1c(C)n(CCCN(C)C)c2ccc(Cc3cccc(C(=O)Nc4ccccc4)c3)cc12
InChIInChI=1S/C30H35N3O2.C29H32FN3O.C29H33N3O.C26H26FN3O2/c1-21-22(2)33(16-8-15-32(3)4)29-14-13-24(19-28(21)29)17-23-9-6-10-25(18-23)30(34)31-26-11-7-12-27(20-26)35-5;1-20-21(2)33(15-7-14-32(3)4)28-13-12-23(18-27(20)28)16-22-8-5-9-24(17-22)29(34)31-26-11-6-10-25(30)19-26;1-21-22(2)32(17-9-16-31(3)4)28-15-14-24(20-27(21)28)18-23-10-8-11-25(19-23)29(33)30-26-12-6-5-7-13-26;1-29(2)14-4-15-30-16-13-19-17-24(11-12-25(19)30)32-23-6-3-5-20(18-23)26(31)28-22-9-7-21(27)8-10-22/h6-7,9-14,18-20H,8,15-17H2,1-5H3,(H,31,34);5-6,8-13,17-19H,7,14-16H2,1-4H3,(H,31,34);5-8,10-15,19-20H,9,16-18H2,1-4H3,(H,30,33);3,5-13,16-18H,4,14-15H2,1-2H3,(H,28,31)
InChIKeyLPLBRSRIPHHIMH-UHFFFAOYSA-N
MW1798.34 g/mol
LogP24.08
Rot. Bonds33

About 3-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]methyl]-N-(3-fluorophenyl)benzamide;3-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]methyl]-N-(3-methoxyphenyl)benzamide;3-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]methyl]-N-phenylbenzamide;3-[1-[3-(dimethylamino)propyl]indol-5-yl]oxy-N-(4-fluorophenyl)benzamide

3-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]methyl]-N-(3-fluorophenyl)benzamide;3-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]methyl]-N-(3-methoxyphenyl)benzamide;3-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]methyl]-N-phenylbenzamide;3-[1-[3-(dimethylamino)propyl]indol-5-yl]oxy-N-(4-fluorophenyl)benzamide (PubChem CID 159418291) has the molecular formula C114H126F2N12O6 and a molecular weight of 1798.34 g/mol. Its IUPAC name is 3-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]methyl]-N-(3-fluorophenyl)benzamide;3-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]methyl]-N-(3-methoxyphenyl)benzamide;3-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]methyl]-N-phenylbenzamide;3-[1-[3-(dimethylamino)propyl]indol-5-yl]oxy-N-(4-fluorophenyl)benzamide.

Molecular Properties

Compound Name3-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]methyl]-N-(3-fluorophenyl)benzamide;3-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]methyl]-N-(3-methoxyphenyl)benzamide;3-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]methyl]-N-phenylbenzamide;3-[1-[3-(dimethylamino)propyl]indol-5-yl]oxy-N-(4-fluorophenyl)benzamide
PubChem CID159418291
Molecular FormulaC114H126F2N12O6
Molecular Weight1798.34 g/mol
Exact Mass1796.99
IUPAC Name3-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]methyl]-N-(3-fluorophenyl)benzamide;3-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]methyl]-N-(3-methoxyphenyl)benzamide;3-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]methyl]-N-phenylbenzamide;3-[1-[3-(dimethylamino)propyl]indol-5-yl]oxy-N-(4-fluorophenyl)benzamide
SMILESCN(C)CCCn1ccc2cc(Oc3cccc(C(=O)Nc4ccc(F)cc4)c3)ccc21.COc1cccc(NC(=O)c2cccc(Cc3ccc4c(c3)c(C)c(C)n4CCCN(C)C)c2)c1.Cc1c(C)n(CCCN(C)C)c2ccc(Cc3cccc(C(=O)Nc4cccc(F)c4)c3)cc12.Cc1c(C)n(CCCN(C)C)c2ccc(Cc3cccc(C(=O)Nc4ccccc4)c3)cc12
InChIInChI=1S/C30H35N3O2.C29H32FN3O.C29H33N3O.C26H26FN3O2/c1-21-22(2)33(16-8-15-32(3)4)29-14-13-24(19-28(21)29)17-23-9-6-10-25(18-23)30(34)31-26-11-7-12-27(20-26)35-5;1-20-21(2)33(15-7-14-32(3)4)28-13-12-23(18-27(20)28)16-22-8-5-9-24(17-22)29(34)31-26-11-6-10-25(30)19-26;1-21-22(2)32(17-9-16-31(3)4)28-15-14-24(20-27(21)28)18-23-10-8-11-25(19-23)29(33)30-26-12-6-5-7-13-26;1-29(2)14-4-15-30-16-13-19-17-24(11-12-25(19)30)32-23-6-3-5-20(18-23)26(31)28-22-9-7-21(27)8-10-22/h6-7,9-14,18-20H,8,15-17H2,1-5H3,(H,31,34);5-6,8-13,17-19H,7,14-16H2,1-4H3,(H,31,34);5-8,10-15,19-20H,9,16-18H2,1-4H3,(H,30,33);3,5-13,16-18H,4,14-15H2,1-2H3,(H,28,31)
InChIKeyLPLBRSRIPHHIMH-UHFFFAOYSA-N
XLogP24.08
TPSA167.54 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds33
Heavy Atoms134
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001798.34
LogP ≤ 524.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 3-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]methyl]-N-(3-fluorophenyl)benzamide;3-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]methyl]-N-(3-methoxyphenyl)benzamide;3-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]methyl]-N-phenylbenzamide;3-[1-[3-(dimethylamino)propyl]indol-5-yl]oxy-N-(4-fluorophenyl)benzamide with MolForge

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Related Compounds

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CID 57391934
(6aS)-3-[6-[3-[bis(1H-indol-3-yl)methyl]phenoxy]hexoxy]-2-methoxy-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one
CID 57402401
(6aS)-3-[5-[3,6-bis(4-fluorophenyl)carbazol-9-yl]-2-methylidenepentoxy]-2-methoxy-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one
CID 68242116
5-[3-(tert-butylcarbamoyl)phenyl]-2-(4-fluorophenyl)-7-[2-[4-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6H-furo[2,3-e]indol-5-yl]-2-(2,2,3,3,4,4,4-heptafluorobutylcarbamoyl)phenoxy]ethyl]-N-methyl-6H-furo[2,3-e]indole-3-carboxamide
CID 123488008
3-[2,3-dimethyl-1-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]indol-5-yl]oxy-N-[4-(4-fluorophenyl)-3,5-dimethoxyphenyl]benzamide
CID 124092847
3-[2,3-dimethyl-1-[3-(4-methylpiperazin-1-yl)propyl]indol-5-yl]oxy-N-[4-(4-fluorophenyl)-3,5-dimethoxyphenyl]benzamide
CID 124092854
3-[1-[3-(dimethylamino)propyl]indol-5-yl]oxy-N-(3-fluorophenyl)benzamide
CID 129206219
3-[1-[3-(dimethylamino)propyl]indol-5-yl]oxy-N-(4-fluorophenyl)benzamide
CID 129206354
5-[3-(tert-butylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methyl-6H-furo[2,3-e]indole-3-carboxamide;ethane;2-(4-fluorophenyl)-5-[3-(2,2,3,3,4,4,4-heptafluorobutylcarbamoyl)-4-methoxyphenyl]-N-methyl-6H-furo[2,3-e]indole-3-carboxamide
CID 144928424
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CID 144928426
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CID 155778967
5-[2-[4-([1]Benzofuro[3,2-c]carbazol-5-yl)pyridin-2-yl]-4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 156282746

Frequently Asked Questions

What is the IUPAC name of 3-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]methyl]-N-(3-fluorophenyl)benzamide;3-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]methyl]-N-(3-methoxyphenyl)benzamide;3-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]methyl]-N-phenylbenzamide;3-[1-[3-(dimethylamino)propyl]indol-5-yl]oxy-N-(4-fluorophenyl)benzamide?
The IUPAC name of 3-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]methyl]-N-(3-fluorophenyl)benzamide;3-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]methyl]-N-(3-methoxyphenyl)benzamide;3-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]methyl]-N-phenylbenzamide;3-[1-[3-(dimethylamino)propyl]indol-5-yl]oxy-N-(4-fluorophenyl)benzamide (CID 159418291) is 3-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]methyl]-N-(3-fluorophenyl)benzamide;3-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]methyl]-N-(3-methoxyphenyl)benzamide;3-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]methyl]-N-phenylbenzamide;3-[1-[3-(dimethylamino)propyl]indol-5-yl]oxy-N-(4-fluorophenyl)benzamide.
What is the SMILES notation for 3-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]methyl]-N-(3-fluorophenyl)benzamide;3-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]methyl]-N-(3-methoxyphenyl)benzamide;3-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]methyl]-N-phenylbenzamide;3-[1-[3-(dimethylamino)propyl]indol-5-yl]oxy-N-(4-fluorophenyl)benzamide?
The canonical SMILES for 3-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]methyl]-N-(3-fluorophenyl)benzamide;3-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]methyl]-N-(3-methoxyphenyl)benzamide;3-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]methyl]-N-phenylbenzamide;3-[1-[3-(dimethylamino)propyl]indol-5-yl]oxy-N-(4-fluorophenyl)benzamide is CN(C)CCCn1ccc2cc(Oc3cccc(C(=O)Nc4ccc(F)cc4)c3)ccc21.COc1cccc(NC(=O)c2cccc(Cc3ccc4c(c3)c(C)c(C)n4CCCN(C)C)c2)c1.Cc1c(C)n(CCCN(C)C)c2ccc(Cc3cccc(C(=O)Nc4cccc(F)c4)c3)cc12.Cc1c(C)n(CCCN(C)C)c2ccc(Cc3cccc(C(=O)Nc4ccccc4)c3)cc12.
What is the InChIKey of 3-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]methyl]-N-(3-fluorophenyl)benzamide;3-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]methyl]-N-(3-methoxyphenyl)benzamide;3-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]methyl]-N-phenylbenzamide;3-[1-[3-(dimethylamino)propyl]indol-5-yl]oxy-N-(4-fluorophenyl)benzamide?
The InChIKey is LPLBRSRIPHHIMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N3O2.C29H32FN3O.C29H33N3O.C26H26FN3O2/c1-21-22(2)33(16-8-15-32(3)4)29-14-13-24(19-28(21)29)17-23-9-6-10-25(18-23)30(34)31-26-11-7-12-27(20-26)35-5;1-20-21(2)33(15-7-14-32(3)4)28-13-12-23(18-27(20)28)16-22-8-5-9-24(17-22)29(34)31-26-11-6-10-25(30)19-26;1-21-22(2)32(17-9-16-31(3)4)28-15-14-24(20-27(21)28)18-23-10-8-11-25(19-23)29(33)30-26-12-6-5-7-13-26;1-29(2)14-4-15-30-16-13-19-17-24(11-12-25(19)30)32-23-6-3-5-20(18-23)26(31)28-22-9-7-21(27)8-10-22/h6-7,9-14,18-20H,8,15-17H2,1-5H3,(H,31,34);5-6,8-13,17-19H,7,14-16H2,1-4H3,(H,31,34);5-8,10-15,19-20H,9,16-18H2,1-4H3,(H,30,33);3,5-13,16-18H,4,14-15H2,1-2H3,(H,28,31).
What are the key properties of 3-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]methyl]-N-(3-fluorophenyl)benzamide;3-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]methyl]-N-(3-methoxyphenyl)benzamide;3-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]methyl]-N-phenylbenzamide;3-[1-[3-(dimethylamino)propyl]indol-5-yl]oxy-N-(4-fluorophenyl)benzamide?
3-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]methyl]-N-(3-fluorophenyl)benzamide;3-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]methyl]-N-(3-methoxyphenyl)benzamide;3-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]methyl]-N-phenylbenzamide;3-[1-[3-(dimethylamino)propyl]indol-5-yl]oxy-N-(4-fluorophenyl)benzamide has a molecular weight of 1798.34 g/mol, XLogP of 24.08, 33 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]methyl]-N-(3-fluorophenyl)benzamide;3-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]methyl]-N-(3-methoxyphenyl)benzamide;3-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]methyl]-N-phenylbenzamide;3-[1-[3-(dimethylamino)propyl]indol-5-yl]oxy-N-(4-fluorophenyl)benzamide is sourced from PubChem (CID 159418291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).