2-(4-aminophenyl)-5-chloro-1-ethylindole-3-carbonitrile;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(3,4-dimethoxyphenyl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(3-morpholin-4-ylpropyl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(4-nitrophenyl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-phenylbenzamide

C120H110ClN17O13 — CID 162043808

IUPAC2-(4-aminophenyl)-5-chloro-1-ethylindole-3-carbonitrile;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(3,4-dimethoxyphenyl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(3-morpholin-4-ylpropyl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(4-nitrophenyl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-phenylbenzamide
SMILESCCn1c(-c2ccc(C(=O)NCCCN3CCOCC3)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(C(=O)Nc3ccc(OC)c(OC)c3)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(C(=O)Nc3ccc([N+](=O)[O-])cc3)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(C(=O)Nc3ccccc3)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(N)cc2)c(C#N)c2cc(Cl)ccc21
InChIInChI=1S/C27H25N3O4.C26H30N4O3.C25H20N4O4.C25H21N3O2.C17H14ClN3/c1-5-30-23-15-20(32-2)11-12-21(23)22(16-28)26(30)17-6-8-18(9-7-17)27(31)29-19-10-13-24(33-3)25(14-19)34-4;1-3-30-24-17-21(32-2)9-10-22(24)23(18-27)25(30)19-5-7-20(8-6-19)26(31)28-11-4-12-29-13-15-33-16-14-29;1-3-28-23-14-20(33-2)12-13-21(23)22(15-26)24(28)16-4-6-17(7-5-16)25(30)27-18-8-10-19(11-9-18)29(31)32;1-3-28-23-15-20(30-2)13-14-21(23)22(16-26)24(28)17-9-11-18(12-10-17)25(29)27-19-7-5-4-6-8-19;1-2-21-16-8-5-12(18)9-14(16)15(10-19)17(21)11-3-6-13(20)7-4-11/h6-15H,5H2,1-4H3,(H,29,31);5-10,17H,3-4,11-16H2,1-2H3,(H,28,31);4-14H,3H2,1-2H3,(H,27,30);4-15H,3H2,1-2H3,(H,27,29);3-9H,2,20H2,1H3
InChIKeyNKXTVYOGFQXWFZ-UHFFFAOYSA-N
MW2033.76 g/mol
LogP24.40
Rot. Bonds28

About 2-(4-aminophenyl)-5-chloro-1-ethylindole-3-carbonitrile;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(3,4-dimethoxyphenyl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(3-morpholin-4-ylpropyl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(4-nitrophenyl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-phenylbenzamide

2-(4-aminophenyl)-5-chloro-1-ethylindole-3-carbonitrile;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(3,4-dimethoxyphenyl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(3-morpholin-4-ylpropyl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(4-nitrophenyl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-phenylbenzamide (PubChem CID 162043808) has the molecular formula C120H110ClN17O13 and a molecular weight of 2033.76 g/mol. Its IUPAC name is 2-(4-aminophenyl)-5-chloro-1-ethylindole-3-carbonitrile;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(3,4-dimethoxyphenyl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(3-morpholin-4-ylpropyl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(4-nitrophenyl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-phenylbenzamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-5-chloro-1-ethylindole-3-carbonitrile;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(3,4-dimethoxyphenyl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(3-morpholin-4-ylpropyl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(4-nitrophenyl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-phenylbenzamide
PubChem CID162043808
Molecular FormulaC120H110ClN17O13
Molecular Weight2033.76 g/mol
Exact Mass2031.82
IUPAC Name2-(4-aminophenyl)-5-chloro-1-ethylindole-3-carbonitrile;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(3,4-dimethoxyphenyl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(3-morpholin-4-ylpropyl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(4-nitrophenyl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-phenylbenzamide
SMILESCCn1c(-c2ccc(C(=O)NCCCN3CCOCC3)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(C(=O)Nc3ccc(OC)c(OC)c3)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(C(=O)Nc3ccc([N+](=O)[O-])cc3)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(C(=O)Nc3ccccc3)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(N)cc2)c(C#N)c2cc(Cl)ccc21
InChIInChI=1S/C27H25N3O4.C26H30N4O3.C25H20N4O4.C25H21N3O2.C17H14ClN3/c1-5-30-23-15-20(32-2)11-12-21(23)22(16-28)26(30)17-6-8-18(9-7-17)27(31)29-19-10-13-24(33-3)25(14-19)34-4;1-3-30-24-17-21(32-2)9-10-22(24)23(18-27)25(30)19-5-7-20(8-6-19)26(31)28-11-4-12-29-13-15-33-16-14-29;1-3-28-23-14-20(33-2)12-13-21(23)22(15-26)24(28)16-4-6-17(7-5-16)25(30)27-18-8-10-19(11-9-18)29(31)32;1-3-28-23-15-20(30-2)13-14-21(23)22(16-26)24(28)17-9-11-18(12-10-17)25(29)27-19-7-5-4-6-8-19;1-2-21-16-8-5-12(18)9-14(16)15(10-19)17(21)11-3-6-13(20)7-4-11/h6-15H,5H2,1-4H3,(H,29,31);5-10,17H,3-4,11-16H2,1-2H3,(H,28,31);4-14H,3H2,1-2H3,(H,27,30);4-15H,3H2,1-2H3,(H,27,29);3-9H,2,20H2,1H3
InChIKeyNKXTVYOGFQXWFZ-UHFFFAOYSA-N
XLogP24.40
TPSA397.01 Ų
H-Bond Donors5
H-Bond Acceptors25
Rotatable Bonds28
Heavy Atoms151
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002033.76
LogP ≤ 524.40
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(4-aminophenyl)-5-chloro-1-ethylindole-3-carbonitrile;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(3,4-dimethoxyphenyl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(3-morpholin-4-ylpropyl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(4-nitrophenyl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-phenylbenzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-5-chloro-1-ethylindole-3-carbonitrile;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(3,4-dimethoxyphenyl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(3-morpholin-4-ylpropyl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(4-nitrophenyl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-phenylbenzamide?
The IUPAC name of 2-(4-aminophenyl)-5-chloro-1-ethylindole-3-carbonitrile;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(3,4-dimethoxyphenyl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(3-morpholin-4-ylpropyl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(4-nitrophenyl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-phenylbenzamide (CID 162043808) is 2-(4-aminophenyl)-5-chloro-1-ethylindole-3-carbonitrile;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(3,4-dimethoxyphenyl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(3-morpholin-4-ylpropyl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(4-nitrophenyl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-phenylbenzamide.
What is the SMILES notation for 2-(4-aminophenyl)-5-chloro-1-ethylindole-3-carbonitrile;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(3,4-dimethoxyphenyl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(3-morpholin-4-ylpropyl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(4-nitrophenyl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-phenylbenzamide?
The canonical SMILES for 2-(4-aminophenyl)-5-chloro-1-ethylindole-3-carbonitrile;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(3,4-dimethoxyphenyl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(3-morpholin-4-ylpropyl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(4-nitrophenyl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-phenylbenzamide is CCn1c(-c2ccc(C(=O)NCCCN3CCOCC3)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(C(=O)Nc3ccc(OC)c(OC)c3)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(C(=O)Nc3ccc([N+](=O)[O-])cc3)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(C(=O)Nc3ccccc3)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(N)cc2)c(C#N)c2cc(Cl)ccc21.
What is the InChIKey of 2-(4-aminophenyl)-5-chloro-1-ethylindole-3-carbonitrile;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(3,4-dimethoxyphenyl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(3-morpholin-4-ylpropyl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(4-nitrophenyl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-phenylbenzamide?
The InChIKey is NKXTVYOGFQXWFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O4.C26H30N4O3.C25H20N4O4.C25H21N3O2.C17H14ClN3/c1-5-30-23-15-20(32-2)11-12-21(23)22(16-28)26(30)17-6-8-18(9-7-17)27(31)29-19-10-13-24(33-3)25(14-19)34-4;1-3-30-24-17-21(32-2)9-10-22(24)23(18-27)25(30)19-5-7-20(8-6-19)26(31)28-11-4-12-29-13-15-33-16-14-29;1-3-28-23-14-20(33-2)12-13-21(23)22(15-26)24(28)16-4-6-17(7-5-16)25(30)27-18-8-10-19(11-9-18)29(31)32;1-3-28-23-15-20(30-2)13-14-21(23)22(16-26)24(28)17-9-11-18(12-10-17)25(29)27-19-7-5-4-6-8-19;1-2-21-16-8-5-12(18)9-14(16)15(10-19)17(21)11-3-6-13(20)7-4-11/h6-15H,5H2,1-4H3,(H,29,31);5-10,17H,3-4,11-16H2,1-2H3,(H,28,31);4-14H,3H2,1-2H3,(H,27,30);4-15H,3H2,1-2H3,(H,27,29);3-9H,2,20H2,1H3.
What are the key properties of 2-(4-aminophenyl)-5-chloro-1-ethylindole-3-carbonitrile;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(3,4-dimethoxyphenyl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(3-morpholin-4-ylpropyl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(4-nitrophenyl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-phenylbenzamide?
2-(4-aminophenyl)-5-chloro-1-ethylindole-3-carbonitrile;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(3,4-dimethoxyphenyl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(3-morpholin-4-ylpropyl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(4-nitrophenyl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-phenylbenzamide has a molecular weight of 2033.76 g/mol, XLogP of 24.40, 28 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-5-chloro-1-ethylindole-3-carbonitrile;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(3,4-dimethoxyphenyl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(3-morpholin-4-ylpropyl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(4-nitrophenyl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-phenylbenzamide is sourced from PubChem (CID 162043808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).