2-(4-aminophenyl)-5-chloro-1-ethylindole-3-carbonitrile;N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]methanesulfonamide;1-(2-chloroethyl)-3-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]urea;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(3,4-dimethoxyphenyl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(4-nitrophenyl)benzamide;1-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-propylurea

C130H120Cl3N21O14S — CID 159479667

About 2-(4-aminophenyl)-5-chloro-1-ethylindole-3-carbonitrile;N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]methanesulfonamide;1-(2-chloroethyl)-3-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]urea;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(3,4-dimethoxyphenyl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(4-nitrophenyl)benzamide;1-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-propylurea

2-(4-aminophenyl)-5-chloro-1-ethylindole-3-carbonitrile;N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]methanesulfonamide;1-(2-chloroethyl)-3-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]urea;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(3,4-dimethoxyphenyl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(4-nitrophenyl)benzamide;1-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-propylurea (PubChem CID 159479667) has the molecular formula C130H120Cl3N21O14S and a molecular weight of 2338.95 g/mol. Its IUPAC name is 2-(4-aminophenyl)-5-chloro-1-ethylindole-3-carbonitrile;N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]methanesulfonamide;1-(2-chloroethyl)-3-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]urea;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(3,4-dimethoxyphenyl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(4-nitrophenyl)benzamide;1-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-propylurea.

Molecular Properties

• Compound Name: 2-(4-aminophenyl)-5-chloro-1-ethylindole-3-carbonitrile;N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]methanesulfonamide;1-(2-chloroethyl)-3-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]urea;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(3,4-dimethoxyphenyl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(4-nitrophenyl)benzamide;1-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-propylurea
• PubChem CID: 159479667
• Molecular Formula: C130H120Cl3N21O14S
• Molecular Weight: 2338.95 g/mol
• Exact Mass: 2335.81
• IUPAC Name: 2-(4-aminophenyl)-5-chloro-1-ethylindole-3-carbonitrile;N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]methanesulfonamide;1-(2-chloroethyl)-3-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]urea;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(3,4-dimethoxyphenyl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(4-nitrophenyl)benzamide;1-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-propylurea
• SMILES: CCCNC(=O)Nc1cccc(-c2c(C#N)c3ccc(OC)cc3n2CC)c1.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(N)cc2)c(C#N)c2cc(Cl)ccc21.CCn1c(-c2ccc(NS(C)(=O)=O)cc2)c(C#N)c2cc(Cl)ccc21.CCn1c(-c2cccc(NC(=O)NCCCl)c2)c(C#N)c2ccc(OC)cc21
• InChI: InChI=1S/C27H25N3O4.C25H20N4O4.C22H24N4O2.C21H21ClN4O2.C18H16ClN3O2S.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;1-3-28-23-14-20(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;1-4-11-24-22(27)25-16-8-6-7-15(12-16)21-19(14-23)18-10-9-17(28-3)13-20(18)26(21)5-2;1-3-26-19-12-16(28-2)7-8-17(19)18(13-23)20(26)14-5-4-6-15(11-14)25-21(27)24-10-9-22;1-3-22-17-9-6-13(19)10-15(17)16(11-20)18(22)12-4-7-14(8-5-12)21-25(2,23)24;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);4-14H,3H2,1-2H3,(H,27,30);6-10,12-13H,4-5,11H2,1-3H3,(H2,24,25,27);4-8,11-12H,3,9-10H2,1-2H3,(H2,24,25,27);4-10,21H,3H2,1-2H3;3-9H,2,20H2,1H3
• InChIKey: DNPMNNQYLGFUJV-UHFFFAOYSA-N
• XLogP: 28.82
• TPSA: 483.49 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 27
• Rotatable Bonds: 31
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2338.95
LogP ≤ 5	28.82
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', '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'}

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-5-chloro-1-ethylindole-3-carbonitrile;N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]methanesulfonamide;1-(2-chloroethyl)-3-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]urea;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(3,4-dimethoxyphenyl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(4-nitrophenyl)benzamide;1-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-propylurea?

The IUPAC name of 2-(4-aminophenyl)-5-chloro-1-ethylindole-3-carbonitrile;N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]methanesulfonamide;1-(2-chloroethyl)-3-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]urea;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(3,4-dimethoxyphenyl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(4-nitrophenyl)benzamide;1-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-propylurea (CID 159479667) is 2-(4-aminophenyl)-5-chloro-1-ethylindole-3-carbonitrile;N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]methanesulfonamide;1-(2-chloroethyl)-3-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]urea;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(3,4-dimethoxyphenyl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(4-nitrophenyl)benzamide;1-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-propylurea.

What is the SMILES notation for 2-(4-aminophenyl)-5-chloro-1-ethylindole-3-carbonitrile;N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]methanesulfonamide;1-(2-chloroethyl)-3-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]urea;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(3,4-dimethoxyphenyl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(4-nitrophenyl)benzamide;1-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-propylurea?

The canonical SMILES for 2-(4-aminophenyl)-5-chloro-1-ethylindole-3-carbonitrile;N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]methanesulfonamide;1-(2-chloroethyl)-3-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]urea;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(3,4-dimethoxyphenyl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(4-nitrophenyl)benzamide;1-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-propylurea is CCCNC(=O)Nc1cccc(-c2c(C#N)c3ccc(OC)cc3n2CC)c1.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(N)cc2)c(C#N)c2cc(Cl)ccc21.CCn1c(-c2ccc(NS(C)(=O)=O)cc2)c(C#N)c2cc(Cl)ccc21.CCn1c(-c2cccc(NC(=O)NCCCl)c2)c(C#N)c2ccc(OC)cc21.

What is the InChIKey of 2-(4-aminophenyl)-5-chloro-1-ethylindole-3-carbonitrile;N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]methanesulfonamide;1-(2-chloroethyl)-3-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]urea;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(3,4-dimethoxyphenyl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(4-nitrophenyl)benzamide;1-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-propylurea?

The InChIKey is DNPMNNQYLGFUJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O4.C25H20N4O4.C22H24N4O2.C21H21ClN4O2.C18H16ClN3O2S.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;1-3-28-23-14-20(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;1-4-11-24-22(27)25-16-8-6-7-15(12-16)21-19(14-23)18-10-9-17(28-3)13-20(18)26(21)5-2;1-3-26-19-12-16(28-2)7-8-17(19)18(13-23)20(26)14-5-4-6-15(11-14)25-21(27)24-10-9-22;1-3-22-17-9-6-13(19)10-15(17)16(11-20)18(22)12-4-7-14(8-5-12)21-25(2,23)24;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);4-14H,3H2,1-2H3,(H,27,30);6-10,12-13H,4-5,11H2,1-3H3,(H2,24,25,27);4-8,11-12H,3,9-10H2,1-2H3,(H2,24,25,27);4-10,21H,3H2,1-2H3;3-9H,2,20H2,1H3.

What are the key properties of 2-(4-aminophenyl)-5-chloro-1-ethylindole-3-carbonitrile;N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]methanesulfonamide;1-(2-chloroethyl)-3-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]urea;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(3,4-dimethoxyphenyl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(4-nitrophenyl)benzamide;1-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-propylurea?

2-(4-aminophenyl)-5-chloro-1-ethylindole-3-carbonitrile;N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]methanesulfonamide;1-(2-chloroethyl)-3-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]urea;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(3,4-dimethoxyphenyl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(4-nitrophenyl)benzamide;1-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-propylurea has a molecular weight of 2338.95 g/mol, XLogP of 28.82, 31 rotatable bonds, 8 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-aminophenyl)-5-chloro-1-ethylindole-3-carbonitrile;N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]methanesulfonamide;1-(2-chloroethyl)-3-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]urea;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(3,4-dimethoxyphenyl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(4-nitrophenyl)benzamide;1-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-propylurea is sourced from PubChem (CID 159479667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).