3-[[6-cyano-5-(trifluoromethyl)-3H-indol-2-yl]methyl]-N-methylbenzamide;3-[[6-cyano-5-(trifluoromethyl)-3H-indol-2-yl]oxy]-N-methylbenzamide;3-[(5,6-dichloro-1H-inden-2-yl)amino]-N-methylbenzamide;3-[(5,6-dichloro-3H-indol-2-yl)methyl]-N-methylbenzamide;3-[3H-indol-2-yl(2-methoxyethyl)amino]-N-methylbenzamide;N-methyl-3-(7H-purin-8-ylamino)benzamide;N-methyl-3-(7H-pyrrolo[2,3-b]pyrazin-6-ylamino)benzamide

C117H100Cl4F6N24O9 — CID 161307889

IUPAC3-[[6-cyano-5-(trifluoromethyl)-3H-indol-2-yl]methyl]-N-methylbenzamide;3-[[6-cyano-5-(trifluoromethyl)-3H-indol-2-yl]oxy]-N-methylbenzamide;3-[(5,6-dichloro-1H-inden-2-yl)amino]-N-methylbenzamide;3-[(5,6-dichloro-3H-indol-2-yl)methyl]-N-methylbenzamide;3-[3H-indol-2-yl(2-methoxyethyl)amino]-N-methylbenzamide;N-methyl-3-(7H-purin-8-ylamino)benzamide;N-methyl-3-(7H-pyrrolo[2,3-b]pyrazin-6-ylamino)benzamide
SMILESCNC(=O)c1cccc(CC2=Nc3cc(C#N)c(C(F)(F)F)cc3C2)c1.CNC(=O)c1cccc(CC2=Nc3cc(Cl)c(Cl)cc3C2)c1.CNC(=O)c1cccc(N(CCOC)C2=Nc3ccccc3C2)c1.CNC(=O)c1cccc(NC2=Cc3cc(Cl)c(Cl)cc3C2)c1.CNC(=O)c1cccc(NC2=Nc3nccnc3C2)c1.CNC(=O)c1cccc(Nc2nc3ncncc3[nH]2)c1.CNC(=O)c1cccc(OC2=Nc3cc(C#N)c(C(F)(F)F)cc3C2)c1
InChIInChI=1S/C19H14F3N3O.C19H21N3O2.C18H12F3N3O2.2C17H14Cl2N2O.C14H13N5O.C13H12N6O/c1-24-18(26)12-4-2-3-11(5-12)6-15-7-13-8-16(19(20,21)22)14(10-23)9-17(13)25-15;1-20-19(23)15-7-5-8-16(12-15)22(10-11-24-2)18-13-14-6-3-4-9-17(14)21-18;1-23-17(25)10-3-2-4-13(5-10)26-16-8-11-6-14(18(19,20)21)12(9-22)7-15(11)24-16;1-20-17(22)10-3-2-4-13(5-10)21-14-6-11-8-15(18)16(19)9-12(11)7-14;1-20-17(22)11-4-2-3-10(5-11)6-13-7-12-8-14(18)15(19)9-16(12)21-13;1-15-14(20)9-3-2-4-10(7-9)18-12-8-11-13(19-12)17-6-5-16-11;1-14-12(20)8-3-2-4-9(5-8)17-13-18-10-6-15-7-16-11(10)19-13/h2-5,8-9H,6-7H2,1H3,(H,24,26);3-9,12H,10-11,13H2,1-2H3,(H,20,23);2-7H,8H2,1H3,(H,23,25);2-6,8-9,21H,7H2,1H3,(H,20,22);2-5,8-9H,6-7H2,1H3,(H,20,22);2-7H,8H2,1H3,(H,15,20)(H,17,18,19);2-7H,1H3,(H,14,20)(H2,15,16,17,18,19)
InChIKeyVIMOXROFSVWPET-UHFFFAOYSA-N
MW2242.05 g/mol
LogP21.77
Rot. Bonds21

About 3-[[6-cyano-5-(trifluoromethyl)-3H-indol-2-yl]methyl]-N-methylbenzamide;3-[[6-cyano-5-(trifluoromethyl)-3H-indol-2-yl]oxy]-N-methylbenzamide;3-[(5,6-dichloro-1H-inden-2-yl)amino]-N-methylbenzamide;3-[(5,6-dichloro-3H-indol-2-yl)methyl]-N-methylbenzamide;3-[3H-indol-2-yl(2-methoxyethyl)amino]-N-methylbenzamide;N-methyl-3-(7H-purin-8-ylamino)benzamide;N-methyl-3-(7H-pyrrolo[2,3-b]pyrazin-6-ylamino)benzamide

3-[[6-cyano-5-(trifluoromethyl)-3H-indol-2-yl]methyl]-N-methylbenzamide;3-[[6-cyano-5-(trifluoromethyl)-3H-indol-2-yl]oxy]-N-methylbenzamide;3-[(5,6-dichloro-1H-inden-2-yl)amino]-N-methylbenzamide;3-[(5,6-dichloro-3H-indol-2-yl)methyl]-N-methylbenzamide;3-[3H-indol-2-yl(2-methoxyethyl)amino]-N-methylbenzamide;N-methyl-3-(7H-purin-8-ylamino)benzamide;N-methyl-3-(7H-pyrrolo[2,3-b]pyrazin-6-ylamino)benzamide (PubChem CID 161307889) has the molecular formula C117H100Cl4F6N24O9 and a molecular weight of 2242.05 g/mol. Its IUPAC name is 3-[[6-cyano-5-(trifluoromethyl)-3H-indol-2-yl]methyl]-N-methylbenzamide;3-[[6-cyano-5-(trifluoromethyl)-3H-indol-2-yl]oxy]-N-methylbenzamide;3-[(5,6-dichloro-1H-inden-2-yl)amino]-N-methylbenzamide;3-[(5,6-dichloro-3H-indol-2-yl)methyl]-N-methylbenzamide;3-[3H-indol-2-yl(2-methoxyethyl)amino]-N-methylbenzamide;N-methyl-3-(7H-purin-8-ylamino)benzamide;N-methyl-3-(7H-pyrrolo[2,3-b]pyrazin-6-ylamino)benzamide.

Molecular Properties

Compound Name3-[[6-cyano-5-(trifluoromethyl)-3H-indol-2-yl]methyl]-N-methylbenzamide;3-[[6-cyano-5-(trifluoromethyl)-3H-indol-2-yl]oxy]-N-methylbenzamide;3-[(5,6-dichloro-1H-inden-2-yl)amino]-N-methylbenzamide;3-[(5,6-dichloro-3H-indol-2-yl)methyl]-N-methylbenzamide;3-[3H-indol-2-yl(2-methoxyethyl)amino]-N-methylbenzamide;N-methyl-3-(7H-purin-8-ylamino)benzamide;N-methyl-3-(7H-pyrrolo[2,3-b]pyrazin-6-ylamino)benzamide
PubChem CID161307889
Molecular FormulaC117H100Cl4F6N24O9
Molecular Weight2242.05 g/mol
Exact Mass2238.68
IUPAC Name3-[[6-cyano-5-(trifluoromethyl)-3H-indol-2-yl]methyl]-N-methylbenzamide;3-[[6-cyano-5-(trifluoromethyl)-3H-indol-2-yl]oxy]-N-methylbenzamide;3-[(5,6-dichloro-1H-inden-2-yl)amino]-N-methylbenzamide;3-[(5,6-dichloro-3H-indol-2-yl)methyl]-N-methylbenzamide;3-[3H-indol-2-yl(2-methoxyethyl)amino]-N-methylbenzamide;N-methyl-3-(7H-purin-8-ylamino)benzamide;N-methyl-3-(7H-pyrrolo[2,3-b]pyrazin-6-ylamino)benzamide
SMILESCNC(=O)c1cccc(CC2=Nc3cc(C#N)c(C(F)(F)F)cc3C2)c1.CNC(=O)c1cccc(CC2=Nc3cc(Cl)c(Cl)cc3C2)c1.CNC(=O)c1cccc(N(CCOC)C2=Nc3ccccc3C2)c1.CNC(=O)c1cccc(NC2=Cc3cc(Cl)c(Cl)cc3C2)c1.CNC(=O)c1cccc(NC2=Nc3nccnc3C2)c1.CNC(=O)c1cccc(Nc2nc3ncncc3[nH]2)c1.CNC(=O)c1cccc(OC2=Nc3cc(C#N)c(C(F)(F)F)cc3C2)c1
InChIInChI=1S/C19H14F3N3O.C19H21N3O2.C18H12F3N3O2.2C17H14Cl2N2O.C14H13N5O.C13H12N6O/c1-24-18(26)12-4-2-3-11(5-12)6-15-7-13-8-16(19(20,21)22)14(10-23)9-17(13)25-15;1-20-19(23)15-7-5-8-16(12-15)22(10-11-24-2)18-13-14-6-3-4-9-17(14)21-18;1-23-17(25)10-3-2-4-13(5-10)26-16-8-11-6-14(18(19,20)21)12(9-22)7-15(11)24-16;1-20-17(22)10-3-2-4-13(5-10)21-14-6-11-8-15(18)16(19)9-12(11)7-14;1-20-17(22)11-4-2-3-10(5-11)6-13-7-12-8-14(18)15(19)9-16(12)21-13;1-15-14(20)9-3-2-4-10(7-9)18-12-8-11-13(19-12)17-6-5-16-11;1-14-12(20)8-3-2-4-9(5-8)17-13-18-10-6-15-7-16-11(10)19-13/h2-5,8-9H,6-7H2,1H3,(H,24,26);3-9,12H,10-11,13H2,1-2H3,(H,20,23);2-7H,8H2,1H3,(H,23,25);2-6,8-9,21H,7H2,1H3,(H,20,22);2-5,8-9H,6-7H2,1H3,(H,20,22);2-7H,8H2,1H3,(H,15,20)(H,17,18,19);2-7H,1H3,(H,14,20)(H2,15,16,17,18,19)
InChIKeyVIMOXROFSVWPET-UHFFFAOYSA-N
XLogP21.77
TPSA451.11 Ų
H-Bond Donors11
H-Bond Acceptors25
Rotatable Bonds21
Heavy Atoms160
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002242.05
LogP ≤ 521.77
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1025

Analyze 3-[[6-cyano-5-(trifluoromethyl)-3H-indol-2-yl]methyl]-N-methylbenzamide;3-[[6-cyano-5-(trifluoromethyl)-3H-indol-2-yl]oxy]-N-methylbenzamide;3-[(5,6-dichloro-1H-inden-2-yl)amino]-N-methylbenzamide;3-[(5,6-dichloro-3H-indol-2-yl)methyl]-N-methylbenzamide;3-[3H-indol-2-yl(2-methoxyethyl)amino]-N-methylbenzamide;N-methyl-3-(7H-purin-8-ylamino)benzamide;N-methyl-3-(7H-pyrrolo[2,3-b]pyrazin-6-ylamino)benzamide with MolForge

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Related Compounds

3-[[6-cyano-5-(trifluoromethyl)-3H-indol-2-yl]methyl]-N-methylbenzamide;3-[[6-cyano-5-(trifluoromethyl)-3H-indol-2-yl]oxy]-N-methylbenzamide;6-[(5,6-dichloro-1,3-benzoxazol-2-yl)amino]-N-methylpyridine-2-carboxamide;3-[(5,6-dichloro-1H-inden-2-yl)amino]-N-methylbenzamide;3-[(5,6-dichloro-3H-indol-2-yl)methyl]-N-methylbenzamide;N-methyl-3-([1,3]oxazolo[4,5-b]pyridin-2-ylamino)benzamide;N-methyl-3-(7H-purin-8-ylamino)benzamide;N-methyl-3-(7H-pyrrolo[2,3-b]pyrazin-6-ylamino)benzamide
CID 158989460

Frequently Asked Questions

What is the IUPAC name of 3-[[6-cyano-5-(trifluoromethyl)-3H-indol-2-yl]methyl]-N-methylbenzamide;3-[[6-cyano-5-(trifluoromethyl)-3H-indol-2-yl]oxy]-N-methylbenzamide;3-[(5,6-dichloro-1H-inden-2-yl)amino]-N-methylbenzamide;3-[(5,6-dichloro-3H-indol-2-yl)methyl]-N-methylbenzamide;3-[3H-indol-2-yl(2-methoxyethyl)amino]-N-methylbenzamide;N-methyl-3-(7H-purin-8-ylamino)benzamide;N-methyl-3-(7H-pyrrolo[2,3-b]pyrazin-6-ylamino)benzamide?
The IUPAC name of 3-[[6-cyano-5-(trifluoromethyl)-3H-indol-2-yl]methyl]-N-methylbenzamide;3-[[6-cyano-5-(trifluoromethyl)-3H-indol-2-yl]oxy]-N-methylbenzamide;3-[(5,6-dichloro-1H-inden-2-yl)amino]-N-methylbenzamide;3-[(5,6-dichloro-3H-indol-2-yl)methyl]-N-methylbenzamide;3-[3H-indol-2-yl(2-methoxyethyl)amino]-N-methylbenzamide;N-methyl-3-(7H-purin-8-ylamino)benzamide;N-methyl-3-(7H-pyrrolo[2,3-b]pyrazin-6-ylamino)benzamide (CID 161307889) is 3-[[6-cyano-5-(trifluoromethyl)-3H-indol-2-yl]methyl]-N-methylbenzamide;3-[[6-cyano-5-(trifluoromethyl)-3H-indol-2-yl]oxy]-N-methylbenzamide;3-[(5,6-dichloro-1H-inden-2-yl)amino]-N-methylbenzamide;3-[(5,6-dichloro-3H-indol-2-yl)methyl]-N-methylbenzamide;3-[3H-indol-2-yl(2-methoxyethyl)amino]-N-methylbenzamide;N-methyl-3-(7H-purin-8-ylamino)benzamide;N-methyl-3-(7H-pyrrolo[2,3-b]pyrazin-6-ylamino)benzamide.
What is the SMILES notation for 3-[[6-cyano-5-(trifluoromethyl)-3H-indol-2-yl]methyl]-N-methylbenzamide;3-[[6-cyano-5-(trifluoromethyl)-3H-indol-2-yl]oxy]-N-methylbenzamide;3-[(5,6-dichloro-1H-inden-2-yl)amino]-N-methylbenzamide;3-[(5,6-dichloro-3H-indol-2-yl)methyl]-N-methylbenzamide;3-[3H-indol-2-yl(2-methoxyethyl)amino]-N-methylbenzamide;N-methyl-3-(7H-purin-8-ylamino)benzamide;N-methyl-3-(7H-pyrrolo[2,3-b]pyrazin-6-ylamino)benzamide?
The canonical SMILES for 3-[[6-cyano-5-(trifluoromethyl)-3H-indol-2-yl]methyl]-N-methylbenzamide;3-[[6-cyano-5-(trifluoromethyl)-3H-indol-2-yl]oxy]-N-methylbenzamide;3-[(5,6-dichloro-1H-inden-2-yl)amino]-N-methylbenzamide;3-[(5,6-dichloro-3H-indol-2-yl)methyl]-N-methylbenzamide;3-[3H-indol-2-yl(2-methoxyethyl)amino]-N-methylbenzamide;N-methyl-3-(7H-purin-8-ylamino)benzamide;N-methyl-3-(7H-pyrrolo[2,3-b]pyrazin-6-ylamino)benzamide is CNC(=O)c1cccc(CC2=Nc3cc(C#N)c(C(F)(F)F)cc3C2)c1.CNC(=O)c1cccc(CC2=Nc3cc(Cl)c(Cl)cc3C2)c1.CNC(=O)c1cccc(N(CCOC)C2=Nc3ccccc3C2)c1.CNC(=O)c1cccc(NC2=Cc3cc(Cl)c(Cl)cc3C2)c1.CNC(=O)c1cccc(NC2=Nc3nccnc3C2)c1.CNC(=O)c1cccc(Nc2nc3ncncc3[nH]2)c1.CNC(=O)c1cccc(OC2=Nc3cc(C#N)c(C(F)(F)F)cc3C2)c1.
What is the InChIKey of 3-[[6-cyano-5-(trifluoromethyl)-3H-indol-2-yl]methyl]-N-methylbenzamide;3-[[6-cyano-5-(trifluoromethyl)-3H-indol-2-yl]oxy]-N-methylbenzamide;3-[(5,6-dichloro-1H-inden-2-yl)amino]-N-methylbenzamide;3-[(5,6-dichloro-3H-indol-2-yl)methyl]-N-methylbenzamide;3-[3H-indol-2-yl(2-methoxyethyl)amino]-N-methylbenzamide;N-methyl-3-(7H-purin-8-ylamino)benzamide;N-methyl-3-(7H-pyrrolo[2,3-b]pyrazin-6-ylamino)benzamide?
The InChIKey is VIMOXROFSVWPET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N3O.C19H21N3O2.C18H12F3N3O2.2C17H14Cl2N2O.C14H13N5O.C13H12N6O/c1-24-18(26)12-4-2-3-11(5-12)6-15-7-13-8-16(19(20,21)22)14(10-23)9-17(13)25-15;1-20-19(23)15-7-5-8-16(12-15)22(10-11-24-2)18-13-14-6-3-4-9-17(14)21-18;1-23-17(25)10-3-2-4-13(5-10)26-16-8-11-6-14(18(19,20)21)12(9-22)7-15(11)24-16;1-20-17(22)10-3-2-4-13(5-10)21-14-6-11-8-15(18)16(19)9-12(11)7-14;1-20-17(22)11-4-2-3-10(5-11)6-13-7-12-8-14(18)15(19)9-16(12)21-13;1-15-14(20)9-3-2-4-10(7-9)18-12-8-11-13(19-12)17-6-5-16-11;1-14-12(20)8-3-2-4-9(5-8)17-13-18-10-6-15-7-16-11(10)19-13/h2-5,8-9H,6-7H2,1H3,(H,24,26);3-9,12H,10-11,13H2,1-2H3,(H,20,23);2-7H,8H2,1H3,(H,23,25);2-6,8-9,21H,7H2,1H3,(H,20,22);2-5,8-9H,6-7H2,1H3,(H,20,22);2-7H,8H2,1H3,(H,15,20)(H,17,18,19);2-7H,1H3,(H,14,20)(H2,15,16,17,18,19).
What are the key properties of 3-[[6-cyano-5-(trifluoromethyl)-3H-indol-2-yl]methyl]-N-methylbenzamide;3-[[6-cyano-5-(trifluoromethyl)-3H-indol-2-yl]oxy]-N-methylbenzamide;3-[(5,6-dichloro-1H-inden-2-yl)amino]-N-methylbenzamide;3-[(5,6-dichloro-3H-indol-2-yl)methyl]-N-methylbenzamide;3-[3H-indol-2-yl(2-methoxyethyl)amino]-N-methylbenzamide;N-methyl-3-(7H-purin-8-ylamino)benzamide;N-methyl-3-(7H-pyrrolo[2,3-b]pyrazin-6-ylamino)benzamide?
3-[[6-cyano-5-(trifluoromethyl)-3H-indol-2-yl]methyl]-N-methylbenzamide;3-[[6-cyano-5-(trifluoromethyl)-3H-indol-2-yl]oxy]-N-methylbenzamide;3-[(5,6-dichloro-1H-inden-2-yl)amino]-N-methylbenzamide;3-[(5,6-dichloro-3H-indol-2-yl)methyl]-N-methylbenzamide;3-[3H-indol-2-yl(2-methoxyethyl)amino]-N-methylbenzamide;N-methyl-3-(7H-purin-8-ylamino)benzamide;N-methyl-3-(7H-pyrrolo[2,3-b]pyrazin-6-ylamino)benzamide has a molecular weight of 2242.05 g/mol, XLogP of 21.77, 21 rotatable bonds, 11 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-cyano-5-(trifluoromethyl)-3H-indol-2-yl]methyl]-N-methylbenzamide;3-[[6-cyano-5-(trifluoromethyl)-3H-indol-2-yl]oxy]-N-methylbenzamide;3-[(5,6-dichloro-1H-inden-2-yl)amino]-N-methylbenzamide;3-[(5,6-dichloro-3H-indol-2-yl)methyl]-N-methylbenzamide;3-[3H-indol-2-yl(2-methoxyethyl)amino]-N-methylbenzamide;N-methyl-3-(7H-purin-8-ylamino)benzamide;N-methyl-3-(7H-pyrrolo[2,3-b]pyrazin-6-ylamino)benzamide is sourced from PubChem (CID 161307889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).