1-(2-chloroethyl)-3-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]urea;1-(3-chloropropyl)-3-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]urea;N-[4-(3-cyano-1-ethyl-5-fluoroindol-2-yl)phenyl]ethanesulfonamide;1-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-(2-phenylethyl)urea;1-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-(4-propan-2-ylphenyl)urea;ethyl N-[3-[3-cyano-1-ethyl-6-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate

C142H142Cl2FN25O13S — CID 159366563

About 1-(2-chloroethyl)-3-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]urea;1-(3-chloropropyl)-3-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]urea;N-[4-(3-cyano-1-ethyl-5-fluoroindol-2-yl)phenyl]ethanesulfonamide;1-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-(2-phenylethyl)urea;1-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-(4-propan-2-ylphenyl)urea;ethyl N-[3-[3-cyano-1-ethyl-6-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate

1-(2-chloroethyl)-3-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]urea;1-(3-chloropropyl)-3-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]urea;N-[4-(3-cyano-1-ethyl-5-fluoroindol-2-yl)phenyl]ethanesulfonamide;1-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-(2-phenylethyl)urea;1-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-(4-propan-2-ylphenyl)urea;ethyl N-[3-[3-cyano-1-ethyl-6-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate (PubChem CID 159366563) has the molecular formula C142H142Cl2FN25O13S and a molecular weight of 2528.83 g/mol. Its IUPAC name is 1-(2-chloroethyl)-3-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]urea;1-(3-chloropropyl)-3-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]urea;N-[4-(3-cyano-1-ethyl-5-fluoroindol-2-yl)phenyl]ethanesulfonamide;1-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-(2-phenylethyl)urea;1-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-(4-propan-2-ylphenyl)urea;ethyl N-[3-[3-cyano-1-ethyl-6-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate.

Molecular Properties

• Compound Name: 1-(2-chloroethyl)-3-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]urea;1-(3-chloropropyl)-3-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]urea;N-[4-(3-cyano-1-ethyl-5-fluoroindol-2-yl)phenyl]ethanesulfonamide;1-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-(2-phenylethyl)urea;1-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-(4-propan-2-ylphenyl)urea;ethyl N-[3-[3-cyano-1-ethyl-6-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate
• PubChem CID: 159366563
• Molecular Formula: C142H142Cl2FN25O13S
• Molecular Weight: 2528.83 g/mol
• Exact Mass: 2526.03
• IUPAC Name: 1-(2-chloroethyl)-3-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]urea;1-(3-chloropropyl)-3-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]urea;N-[4-(3-cyano-1-ethyl-5-fluoroindol-2-yl)phenyl]ethanesulfonamide;1-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-(2-phenylethyl)urea;1-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-(4-propan-2-ylphenyl)urea;ethyl N-[3-[3-cyano-1-ethyl-6-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate
• SMILES: CCOC(=O)Nc1cccc(-c2c(C#N)c3ccc(OCCCn4cncn4)cc3n2CC)c1.CCn1c(-c2ccc(NC(=O)NCCCCl)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(NC(=O)NCCCl)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(NC(=O)NCCc3ccccc3)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(NC(=O)Nc3ccc(C(C)C)cc3)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(NS(=O)(=O)CC)cc2)c(C#N)c2cc(F)ccc21
• InChI: InChI=1S/C28H28N4O2.C27H26N4O2.C25H26N6O3.C22H23ClN4O2.C21H21ClN4O2.C19H18FN3O2S/c1-5-32-26-16-23(34-4)14-15-24(26)25(17-29)27(32)20-8-12-22(13-9-20)31-28(33)30-21-10-6-19(7-11-21)18(2)3;1-3-31-25-17-22(33-2)13-14-23(25)24(18-28)26(31)20-9-11-21(12-10-20)30-27(32)29-16-15-19-7-5-4-6-8-19;1-3-31-23-14-20(34-12-6-11-30-17-27-16-28-30)9-10-21(23)22(15-26)24(31)18-7-5-8-19(13-18)29-25(32)33-4-2;1-3-27-20-13-17(29-2)9-10-18(20)19(14-24)21(27)15-5-7-16(8-6-15)26-22(28)25-12-4-11-23;1-3-26-19-12-16(28-2)8-9-17(19)18(13-23)20(26)14-4-6-15(7-5-14)25-21(27)24-11-10-22;1-3-23-18-10-7-14(20)11-16(18)17(12-21)19(23)13-5-8-15(9-6-13)22-26(24,25)4-2/h6-16,18H,5H2,1-4H3,(H2,30,31,33);4-14,17H,3,15-16H2,1-2H3,(H2,29,30,32);5,7-10,13-14,16-17H,3-4,6,11-12H2,1-2H3,(H,29,32);5-10,13H,3-4,11-12H2,1-2H3,(H2,25,26,28);4-9,12H,3,10-11H2,1-2H3,(H2,24,25,27);5-11,22H,3-4H2,1-2H3
• InChIKey: LJEXPYQSPZMOAL-UHFFFAOYSA-N
• XLogP: 31.01
• TPSA: 498.20 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 28
• Rotatable Bonds: 40
• Heavy Atoms: 184
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2528.83
LogP ≤ 5	31.01
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloroethyl)-3-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]urea;1-(3-chloropropyl)-3-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]urea;N-[4-(3-cyano-1-ethyl-5-fluoroindol-2-yl)phenyl]ethanesulfonamide;1-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-(2-phenylethyl)urea;1-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-(4-propan-2-ylphenyl)urea;ethyl N-[3-[3-cyano-1-ethyl-6-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate?

The IUPAC name of 1-(2-chloroethyl)-3-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]urea;1-(3-chloropropyl)-3-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]urea;N-[4-(3-cyano-1-ethyl-5-fluoroindol-2-yl)phenyl]ethanesulfonamide;1-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-(2-phenylethyl)urea;1-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-(4-propan-2-ylphenyl)urea;ethyl N-[3-[3-cyano-1-ethyl-6-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate (CID 159366563) is 1-(2-chloroethyl)-3-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]urea;1-(3-chloropropyl)-3-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]urea;N-[4-(3-cyano-1-ethyl-5-fluoroindol-2-yl)phenyl]ethanesulfonamide;1-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-(2-phenylethyl)urea;1-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-(4-propan-2-ylphenyl)urea;ethyl N-[3-[3-cyano-1-ethyl-6-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate.

What is the SMILES notation for 1-(2-chloroethyl)-3-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]urea;1-(3-chloropropyl)-3-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]urea;N-[4-(3-cyano-1-ethyl-5-fluoroindol-2-yl)phenyl]ethanesulfonamide;1-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-(2-phenylethyl)urea;1-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-(4-propan-2-ylphenyl)urea;ethyl N-[3-[3-cyano-1-ethyl-6-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate?

The canonical SMILES for 1-(2-chloroethyl)-3-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]urea;1-(3-chloropropyl)-3-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]urea;N-[4-(3-cyano-1-ethyl-5-fluoroindol-2-yl)phenyl]ethanesulfonamide;1-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-(2-phenylethyl)urea;1-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-(4-propan-2-ylphenyl)urea;ethyl N-[3-[3-cyano-1-ethyl-6-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate is CCOC(=O)Nc1cccc(-c2c(C#N)c3ccc(OCCCn4cncn4)cc3n2CC)c1.CCn1c(-c2ccc(NC(=O)NCCCCl)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(NC(=O)NCCCl)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(NC(=O)NCCc3ccccc3)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(NC(=O)Nc3ccc(C(C)C)cc3)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(NS(=O)(=O)CC)cc2)c(C#N)c2cc(F)ccc21.

What is the InChIKey of 1-(2-chloroethyl)-3-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]urea;1-(3-chloropropyl)-3-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]urea;N-[4-(3-cyano-1-ethyl-5-fluoroindol-2-yl)phenyl]ethanesulfonamide;1-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-(2-phenylethyl)urea;1-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-(4-propan-2-ylphenyl)urea;ethyl N-[3-[3-cyano-1-ethyl-6-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate?

The InChIKey is LJEXPYQSPZMOAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N4O2.C27H26N4O2.C25H26N6O3.C22H23ClN4O2.C21H21ClN4O2.C19H18FN3O2S/c1-5-32-26-16-23(34-4)14-15-24(26)25(17-29)27(32)20-8-12-22(13-9-20)31-28(33)30-21-10-6-19(7-11-21)18(2)3;1-3-31-25-17-22(33-2)13-14-23(25)24(18-28)26(31)20-9-11-21(12-10-20)30-27(32)29-16-15-19-7-5-4-6-8-19;1-3-31-23-14-20(34-12-6-11-30-17-27-16-28-30)9-10-21(23)22(15-26)24(31)18-7-5-8-19(13-18)29-25(32)33-4-2;1-3-27-20-13-17(29-2)9-10-18(20)19(14-24)21(27)15-5-7-16(8-6-15)26-22(28)25-12-4-11-23;1-3-26-19-12-16(28-2)8-9-17(19)18(13-23)20(26)14-4-6-15(7-5-14)25-21(27)24-11-10-22;1-3-23-18-10-7-14(20)11-16(18)17(12-21)19(23)13-5-8-15(9-6-13)22-26(24,25)4-2/h6-16,18H,5H2,1-4H3,(H2,30,31,33);4-14,17H,3,15-16H2,1-2H3,(H2,29,30,32);5,7-10,13-14,16-17H,3-4,6,11-12H2,1-2H3,(H,29,32);5-10,13H,3-4,11-12H2,1-2H3,(H2,25,26,28);4-9,12H,3,10-11H2,1-2H3,(H2,24,25,27);5-11,22H,3-4H2,1-2H3.

What are the key properties of 1-(2-chloroethyl)-3-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]urea;1-(3-chloropropyl)-3-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]urea;N-[4-(3-cyano-1-ethyl-5-fluoroindol-2-yl)phenyl]ethanesulfonamide;1-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-(2-phenylethyl)urea;1-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-(4-propan-2-ylphenyl)urea;ethyl N-[3-[3-cyano-1-ethyl-6-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate?

1-(2-chloroethyl)-3-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]urea;1-(3-chloropropyl)-3-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]urea;N-[4-(3-cyano-1-ethyl-5-fluoroindol-2-yl)phenyl]ethanesulfonamide;1-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-(2-phenylethyl)urea;1-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-(4-propan-2-ylphenyl)urea;ethyl N-[3-[3-cyano-1-ethyl-6-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate has a molecular weight of 2528.83 g/mol, XLogP of 31.01, 40 rotatable bonds, 10 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-chloroethyl)-3-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]urea;1-(3-chloropropyl)-3-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]urea;N-[4-(3-cyano-1-ethyl-5-fluoroindol-2-yl)phenyl]ethanesulfonamide;1-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-(2-phenylethyl)urea;1-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-(4-propan-2-ylphenyl)urea;ethyl N-[3-[3-cyano-1-ethyl-6-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate is sourced from PubChem (CID 159366563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).