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-ethylbenzamide;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;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-propan-2-ylbenzamide

C141H129Cl3N18O12 — CID 158497307

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-ethylbenzamide;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;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-propan-2-ylbenzamide
SMILESCCNC(=O)c1ccc(-c2c(C#N)c3ccc(OC)cc3n2CC)cc1.CCn1c(-c2ccc(C(=O)NC(C)C)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/C26H23N3O2.C25H19Cl2N3O2.C25H20ClN3O2.2C22H23N3O2.C21H21N3O2/c1-4-29-24-15-21(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)10-11-18(20)19(13-23)21(25)15-6-8-16(9-7-15)22(26)24-14(2)3;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;1-4-23-21(25)15-8-6-14(7-9-15)20-18(13-22)17-11-10-16(26-3)12-19(17)24(20)5-2/h5-15H,4H2,1-3H3,(H,28,30);4-13H,3H2,1-2H3,(H,29,31);4-14H,3H2,1-2H3,(H,28,30);2*6-12,14H,5H2,1-4H3,(H,24,26);6-12H,4-5H2,1-3H3,(H,23,25)
InChIKeyHJLKVFWVIBHGRJ-UHFFFAOYSA-N
MW2374.06 g/mol
LogP31.76
Rot. Bonds30

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-ethylbenzamide;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;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-propan-2-ylbenzamide

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-ethylbenzamide;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;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-propan-2-ylbenzamide (PubChem CID 158497307) has the molecular formula C141H129Cl3N18O12 and a molecular weight of 2374.06 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-ethylbenzamide;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;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-propan-2-ylbenzamide.

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-ethylbenzamide;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;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-propan-2-ylbenzamide
PubChem CID158497307
Molecular FormulaC141H129Cl3N18O12
Molecular Weight2374.06 g/mol
Exact Mass2370.91
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-ethylbenzamide;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;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-propan-2-ylbenzamide
SMILESCCNC(=O)c1ccc(-c2c(C#N)c3ccc(OC)cc3n2CC)cc1.CCn1c(-c2ccc(C(=O)NC(C)C)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/C26H23N3O2.C25H19Cl2N3O2.C25H20ClN3O2.2C22H23N3O2.C21H21N3O2/c1-4-29-24-15-21(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)10-11-18(20)19(13-23)21(25)15-6-8-16(9-7-15)22(26)24-14(2)3;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;1-4-23-21(25)15-8-6-14(7-9-15)20-18(13-22)17-11-10-16(26-3)12-19(17)24(20)5-2/h5-15H,4H2,1-3H3,(H,28,30);4-13H,3H2,1-2H3,(H,29,31);4-14H,3H2,1-2H3,(H,28,30);2*6-12,14H,5H2,1-4H3,(H,24,26);6-12H,4-5H2,1-3H3,(H,23,25)
InChIKeyHJLKVFWVIBHGRJ-UHFFFAOYSA-N
XLogP31.76
TPSA402.30 Ų
H-Bond Donors6
H-Bond Acceptors24
Rotatable Bonds30
Heavy Atoms174
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002374.06
LogP ≤ 531.76
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1024

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-ethylbenzamide;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;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-propan-2-ylbenzamide 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-ethylbenzamide;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;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-propan-2-ylbenzamide?
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-ethylbenzamide;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;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-propan-2-ylbenzamide (CID 158497307) 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-ethylbenzamide;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;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-propan-2-ylbenzamide.
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-ethylbenzamide;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;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-propan-2-ylbenzamide?
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-ethylbenzamide;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;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-propan-2-ylbenzamide is CCNC(=O)c1ccc(-c2c(C#N)c3ccc(OC)cc3n2CC)cc1.CCn1c(-c2ccc(C(=O)NC(C)C)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-ethylbenzamide;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;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-propan-2-ylbenzamide?
The InChIKey is HJLKVFWVIBHGRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O2.C25H19Cl2N3O2.C25H20ClN3O2.2C22H23N3O2.C21H21N3O2/c1-4-29-24-15-21(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)10-11-18(20)19(13-23)21(25)15-6-8-16(9-7-15)22(26)24-14(2)3;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;1-4-23-21(25)15-8-6-14(7-9-15)20-18(13-22)17-11-10-16(26-3)12-19(17)24(20)5-2/h5-15H,4H2,1-3H3,(H,28,30);4-13H,3H2,1-2H3,(H,29,31);4-14H,3H2,1-2H3,(H,28,30);2*6-12,14H,5H2,1-4H3,(H,24,26);6-12H,4-5H2,1-3H3,(H,23,25).
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-ethylbenzamide;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;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-propan-2-ylbenzamide?
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-ethylbenzamide;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;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-propan-2-ylbenzamide has a molecular weight of 2374.06 g/mol, XLogP of 31.76, 30 rotatable bonds, 6 hydrogen bond donors, and 24 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-ethylbenzamide;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;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-propan-2-ylbenzamide is sourced from PubChem (CID 158497307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).