N-(4-chlorophenyl)-4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(3,4-dichlorophenyl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(4-methylphenyl)benzamide;N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-2-methylpropanamide;2-[4-[4-[3-(dimethylamino)propyl]piperazine-1-carbonyl]phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile

C126H120Cl3N17O10 — CID 159310871

IUPACN-(4-chlorophenyl)-4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(3,4-dichlorophenyl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(4-methylphenyl)benzamide;N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-2-methylpropanamide;2-[4-[4-[3-(dimethylamino)propyl]piperazine-1-carbonyl]phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile
SMILESCCn1c(-c2ccc(C(=O)N3CCN(CCCN(C)C)CC3)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(C(=O)Nc3ccc(C)cc3)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(C(=O)Nc3ccc(Cl)c(Cl)c3)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(C(=O)Nc3ccc(Cl)cc3)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2cccc(NC(=O)C(C)C)c2)c(C#N)c2ccc(OC)cc21
InChIInChI=1S/C28H35N5O2.C26H23N3O2.C25H19Cl2N3O2.C25H20ClN3O2.C22H23N3O2/c1-5-33-26-19-23(35-4)11-12-24(26)25(20-29)27(33)21-7-9-22(10-8-21)28(34)32-17-15-31(16-18-32)14-6-13-30(2)3;1-4-29-24-15-21(31-3)13-14-22(24)23(16-27)25(29)18-7-9-19(10-8-18)26(30)28-20-11-5-17(2)6-12-20;1-3-30-23-13-18(32-2)9-10-19(23)20(14-28)24(30)15-4-6-16(7-5-15)25(31)29-17-8-11-21(26)22(27)12-17;1-3-29-23-14-20(31-2)12-13-21(23)22(15-27)24(29)16-4-6-17(7-5-16)25(30)28-19-10-8-18(26)9-11-19;1-5-25-20-12-17(27-4)9-10-18(20)19(13-23)21(25)15-7-6-8-16(11-15)24-22(26)14(2)3/h7-12,19H,5-6,13-18H2,1-4H3;5-15H,4H2,1-3H3,(H,28,30);4-13H,3H2,1-2H3,(H,29,31);4-14H,3H2,1-2H3,(H,28,30);6-12,14H,5H2,1-4H3,(H,24,26)
InChIKeyLCNGFWXXDSNHBY-UHFFFAOYSA-N
MW2138.81 g/mol
LogP27.37
Rot. Bonds28

About N-(4-chlorophenyl)-4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(3,4-dichlorophenyl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(4-methylphenyl)benzamide;N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-2-methylpropanamide;2-[4-[4-[3-(dimethylamino)propyl]piperazine-1-carbonyl]phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile

N-(4-chlorophenyl)-4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(3,4-dichlorophenyl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(4-methylphenyl)benzamide;N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-2-methylpropanamide;2-[4-[4-[3-(dimethylamino)propyl]piperazine-1-carbonyl]phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile (PubChem CID 159310871) has the molecular formula C126H120Cl3N17O10 and a molecular weight of 2138.81 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(3,4-dichlorophenyl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(4-methylphenyl)benzamide;N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-2-methylpropanamide;2-[4-[4-[3-(dimethylamino)propyl]piperazine-1-carbonyl]phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(3,4-dichlorophenyl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(4-methylphenyl)benzamide;N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-2-methylpropanamide;2-[4-[4-[3-(dimethylamino)propyl]piperazine-1-carbonyl]phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile
PubChem CID159310871
Molecular FormulaC126H120Cl3N17O10
Molecular Weight2138.81 g/mol
Exact Mass2135.85
IUPAC NameN-(4-chlorophenyl)-4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(3,4-dichlorophenyl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(4-methylphenyl)benzamide;N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-2-methylpropanamide;2-[4-[4-[3-(dimethylamino)propyl]piperazine-1-carbonyl]phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile
SMILESCCn1c(-c2ccc(C(=O)N3CCN(CCCN(C)C)CC3)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(C(=O)Nc3ccc(C)cc3)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(C(=O)Nc3ccc(Cl)c(Cl)c3)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(C(=O)Nc3ccc(Cl)cc3)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2cccc(NC(=O)C(C)C)c2)c(C#N)c2ccc(OC)cc21
InChIInChI=1S/C28H35N5O2.C26H23N3O2.C25H19Cl2N3O2.C25H20ClN3O2.C22H23N3O2/c1-5-33-26-19-23(35-4)11-12-24(26)25(20-29)27(33)21-7-9-22(10-8-21)28(34)32-17-15-31(16-18-32)14-6-13-30(2)3;1-4-29-24-15-21(31-3)13-14-22(24)23(16-27)25(29)18-7-9-19(10-8-18)26(30)28-20-11-5-17(2)6-12-20;1-3-30-23-13-18(32-2)9-10-19(23)20(14-28)24(30)15-4-6-16(7-5-15)25(31)29-17-8-11-21(26)22(27)12-17;1-3-29-23-14-20(31-2)12-13-21(23)22(15-27)24(29)16-4-6-17(7-5-16)25(30)28-19-10-8-18(26)9-11-19;1-5-25-20-12-17(27-4)9-10-18(20)19(13-23)21(25)15-7-6-8-16(11-15)24-22(26)14(2)3/h7-12,19H,5-6,13-18H2,1-4H3;5-15H,4H2,1-3H3,(H,28,30);4-13H,3H2,1-2H3,(H,29,31);4-14H,3H2,1-2H3,(H,28,30);6-12,14H,5H2,1-4H3,(H,24,26)
InChIKeyLCNGFWXXDSNHBY-UHFFFAOYSA-N
XLogP27.37
TPSA332.94 Ų
H-Bond Donors4
H-Bond Acceptors22
Rotatable Bonds28
Heavy Atoms156
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002138.81
LogP ≤ 527.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1022

Analyze N-(4-chlorophenyl)-4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(3,4-dichlorophenyl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(4-methylphenyl)benzamide;N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-2-methylpropanamide;2-[4-[4-[3-(dimethylamino)propyl]piperazine-1-carbonyl]phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(3,4-dichlorophenyl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(4-methylphenyl)benzamide;N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-2-methylpropanamide;2-[4-[4-[3-(dimethylamino)propyl]piperazine-1-carbonyl]phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile?
The IUPAC name of N-(4-chlorophenyl)-4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(3,4-dichlorophenyl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(4-methylphenyl)benzamide;N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-2-methylpropanamide;2-[4-[4-[3-(dimethylamino)propyl]piperazine-1-carbonyl]phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile (CID 159310871) is N-(4-chlorophenyl)-4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(3,4-dichlorophenyl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(4-methylphenyl)benzamide;N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-2-methylpropanamide;2-[4-[4-[3-(dimethylamino)propyl]piperazine-1-carbonyl]phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile.
What is the SMILES notation for N-(4-chlorophenyl)-4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(3,4-dichlorophenyl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(4-methylphenyl)benzamide;N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-2-methylpropanamide;2-[4-[4-[3-(dimethylamino)propyl]piperazine-1-carbonyl]phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile?
The canonical SMILES for N-(4-chlorophenyl)-4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(3,4-dichlorophenyl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(4-methylphenyl)benzamide;N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-2-methylpropanamide;2-[4-[4-[3-(dimethylamino)propyl]piperazine-1-carbonyl]phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile is CCn1c(-c2ccc(C(=O)N3CCN(CCCN(C)C)CC3)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(C(=O)Nc3ccc(C)cc3)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(C(=O)Nc3ccc(Cl)c(Cl)c3)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(C(=O)Nc3ccc(Cl)cc3)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2cccc(NC(=O)C(C)C)c2)c(C#N)c2ccc(OC)cc21.
What is the InChIKey of N-(4-chlorophenyl)-4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(3,4-dichlorophenyl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(4-methylphenyl)benzamide;N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-2-methylpropanamide;2-[4-[4-[3-(dimethylamino)propyl]piperazine-1-carbonyl]phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile?
The InChIKey is LCNGFWXXDSNHBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N5O2.C26H23N3O2.C25H19Cl2N3O2.C25H20ClN3O2.C22H23N3O2/c1-5-33-26-19-23(35-4)11-12-24(26)25(20-29)27(33)21-7-9-22(10-8-21)28(34)32-17-15-31(16-18-32)14-6-13-30(2)3;1-4-29-24-15-21(31-3)13-14-22(24)23(16-27)25(29)18-7-9-19(10-8-18)26(30)28-20-11-5-17(2)6-12-20;1-3-30-23-13-18(32-2)9-10-19(23)20(14-28)24(30)15-4-6-16(7-5-15)25(31)29-17-8-11-21(26)22(27)12-17;1-3-29-23-14-20(31-2)12-13-21(23)22(15-27)24(29)16-4-6-17(7-5-16)25(30)28-19-10-8-18(26)9-11-19;1-5-25-20-12-17(27-4)9-10-18(20)19(13-23)21(25)15-7-6-8-16(11-15)24-22(26)14(2)3/h7-12,19H,5-6,13-18H2,1-4H3;5-15H,4H2,1-3H3,(H,28,30);4-13H,3H2,1-2H3,(H,29,31);4-14H,3H2,1-2H3,(H,28,30);6-12,14H,5H2,1-4H3,(H,24,26).
What are the key properties of N-(4-chlorophenyl)-4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(3,4-dichlorophenyl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(4-methylphenyl)benzamide;N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-2-methylpropanamide;2-[4-[4-[3-(dimethylamino)propyl]piperazine-1-carbonyl]phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile?
N-(4-chlorophenyl)-4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(3,4-dichlorophenyl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(4-methylphenyl)benzamide;N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-2-methylpropanamide;2-[4-[4-[3-(dimethylamino)propyl]piperazine-1-carbonyl]phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile has a molecular weight of 2138.81 g/mol, XLogP of 27.37, 28 rotatable bonds, 4 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(3,4-dichlorophenyl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(4-methylphenyl)benzamide;N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-2-methylpropanamide;2-[4-[4-[3-(dimethylamino)propyl]piperazine-1-carbonyl]phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile is sourced from PubChem (CID 159310871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).