2-(4-aminophenyl)-6-phenylmethoxy-1-propylindole-3-carbonitrile;N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]propane-2-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]acetamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]-2,2-dimethylpropanamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]-3-phenylbutanamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]propanamide

C139H127F13N18O12S — CID 159043348

About 2-(4-aminophenyl)-6-phenylmethoxy-1-propylindole-3-carbonitrile;N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]propane-2-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]acetamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]-2,2-dimethylpropanamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]-3-phenylbutanamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]propanamide

2-(4-aminophenyl)-6-phenylmethoxy-1-propylindole-3-carbonitrile;N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]propane-2-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]acetamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]-2,2-dimethylpropanamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]-3-phenylbutanamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]propanamide (PubChem CID 159043348) has the molecular formula C139H127F13N18O12S and a molecular weight of 2520.70 g/mol. Its IUPAC name is 2-(4-aminophenyl)-6-phenylmethoxy-1-propylindole-3-carbonitrile;N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]propane-2-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]acetamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]-2,2-dimethylpropanamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]-3-phenylbutanamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]propanamide.

Molecular Properties

• Compound Name: 2-(4-aminophenyl)-6-phenylmethoxy-1-propylindole-3-carbonitrile;N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]propane-2-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]acetamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]-2,2-dimethylpropanamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]-3-phenylbutanamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]propanamide
• PubChem CID: 159043348
• Molecular Formula: C139H127F13N18O12S
• Molecular Weight: 2520.70 g/mol
• Exact Mass: 2518.94
• IUPAC Name: 2-(4-aminophenyl)-6-phenylmethoxy-1-propylindole-3-carbonitrile;N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]propane-2-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]acetamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]-2,2-dimethylpropanamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]-3-phenylbutanamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]propanamide
• SMILES: CCC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC(F)(F)F)cc3n2CC)cc1.CCCn1c(-c2ccc(N)cc2)c(C#N)c2ccc(OCc3ccccc3)cc21.CCn1c(-c2ccc(NC(=O)C(C)(C)C)cc2)c(C#N)c2ccc(OC(F)(F)F)cc21.CCn1c(-c2ccc(NC(=O)CC(C)c3ccccc3)cc2)c(C#N)c2ccc(OC(F)(F)F)cc21.CCn1c(-c2ccc(NC(C)=O)cc2)c(C#N)c2ccc(OC(F)(F)F)cc21.CCn1c(-c2ccc(NS(=O)(=O)C(C)C)cc2)c(C#N)c2ccc(OCCF)cc21
• InChI: InChI=1S/C28H24F3N3O2.C25H23N3O.C23H22F3N3O2.C22H24FN3O3S.C21H18F3N3O2.C20H16F3N3O2/c1-3-34-25-16-22(36-28(29,30)31)13-14-23(25)24(17-32)27(34)20-9-11-21(12-10-20)33-26(35)15-18(2)19-7-5-4-6-8-19;1-2-14-28-24-15-21(29-17-18-6-4-3-5-7-18)12-13-22(24)23(16-26)25(28)19-8-10-20(27)11-9-19;1-5-29-19-12-16(31-23(24,25)26)10-11-17(19)18(13-27)20(29)14-6-8-15(9-7-14)28-21(30)22(2,3)4;1-4-26-21-13-18(29-12-11-23)9-10-19(21)20(14-24)22(26)16-5-7-17(8-6-16)25-30(27,28)15(2)3;1-3-19(28)26-14-7-5-13(6-8-14)20-17(12-25)16-10-9-15(29-21(22,23)24)11-18(16)27(20)4-2;1-3-26-18-10-15(28-20(21,22)23)8-9-16(18)17(11-24)19(26)13-4-6-14(7-5-13)25-12(2)27/h4-14,16,18H,3,15H2,1-2H3,(H,33,35);3-13,15H,2,14,17,27H2,1H3;6-12H,5H2,1-4H3,(H,28,30);5-10,13,15,25H,4,11-12H2,1-3H3;5-11H,3-4H2,1-2H3,(H,26,28);4-10H,3H2,1-2H3,(H,25,27)
• InChIKey: JWITWQMXCFJUBI-UHFFFAOYSA-N
• XLogP: 34.27
• TPSA: 416.29 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 25
• Rotatable Bonds: 34
• Heavy Atoms: 183
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2520.70
LogP ≤ 5	34.27
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-6-phenylmethoxy-1-propylindole-3-carbonitrile;N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]propane-2-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]acetamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]-2,2-dimethylpropanamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]-3-phenylbutanamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]propanamide?

The IUPAC name of 2-(4-aminophenyl)-6-phenylmethoxy-1-propylindole-3-carbonitrile;N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]propane-2-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]acetamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]-2,2-dimethylpropanamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]-3-phenylbutanamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]propanamide (CID 159043348) is 2-(4-aminophenyl)-6-phenylmethoxy-1-propylindole-3-carbonitrile;N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]propane-2-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]acetamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]-2,2-dimethylpropanamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]-3-phenylbutanamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]propanamide.

What is the SMILES notation for 2-(4-aminophenyl)-6-phenylmethoxy-1-propylindole-3-carbonitrile;N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]propane-2-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]acetamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]-2,2-dimethylpropanamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]-3-phenylbutanamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]propanamide?

The canonical SMILES for 2-(4-aminophenyl)-6-phenylmethoxy-1-propylindole-3-carbonitrile;N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]propane-2-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]acetamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]-2,2-dimethylpropanamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]-3-phenylbutanamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]propanamide is CCC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC(F)(F)F)cc3n2CC)cc1.CCCn1c(-c2ccc(N)cc2)c(C#N)c2ccc(OCc3ccccc3)cc21.CCn1c(-c2ccc(NC(=O)C(C)(C)C)cc2)c(C#N)c2ccc(OC(F)(F)F)cc21.CCn1c(-c2ccc(NC(=O)CC(C)c3ccccc3)cc2)c(C#N)c2ccc(OC(F)(F)F)cc21.CCn1c(-c2ccc(NC(C)=O)cc2)c(C#N)c2ccc(OC(F)(F)F)cc21.CCn1c(-c2ccc(NS(=O)(=O)C(C)C)cc2)c(C#N)c2ccc(OCCF)cc21.

What is the InChIKey of 2-(4-aminophenyl)-6-phenylmethoxy-1-propylindole-3-carbonitrile;N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]propane-2-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]acetamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]-2,2-dimethylpropanamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]-3-phenylbutanamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]propanamide?

The InChIKey is JWITWQMXCFJUBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24F3N3O2.C25H23N3O.C23H22F3N3O2.C22H24FN3O3S.C21H18F3N3O2.C20H16F3N3O2/c1-3-34-25-16-22(36-28(29,30)31)13-14-23(25)24(17-32)27(34)20-9-11-21(12-10-20)33-26(35)15-18(2)19-7-5-4-6-8-19;1-2-14-28-24-15-21(29-17-18-6-4-3-5-7-18)12-13-22(24)23(16-26)25(28)19-8-10-20(27)11-9-19;1-5-29-19-12-16(31-23(24,25)26)10-11-17(19)18(13-27)20(29)14-6-8-15(9-7-14)28-21(30)22(2,3)4;1-4-26-21-13-18(29-12-11-23)9-10-19(21)20(14-24)22(26)16-5-7-17(8-6-16)25-30(27,28)15(2)3;1-3-19(28)26-14-7-5-13(6-8-14)20-17(12-25)16-10-9-15(29-21(22,23)24)11-18(16)27(20)4-2;1-3-26-18-10-15(28-20(21,22)23)8-9-16(18)17(11-24)19(26)13-4-6-14(7-5-13)25-12(2)27/h4-14,16,18H,3,15H2,1-2H3,(H,33,35);3-13,15H,2,14,17,27H2,1H3;6-12H,5H2,1-4H3,(H,28,30);5-10,13,15,25H,4,11-12H2,1-3H3;5-11H,3-4H2,1-2H3,(H,26,28);4-10H,3H2,1-2H3,(H,25,27).

What are the key properties of 2-(4-aminophenyl)-6-phenylmethoxy-1-propylindole-3-carbonitrile;N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]propane-2-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]acetamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]-2,2-dimethylpropanamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]-3-phenylbutanamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]propanamide?

2-(4-aminophenyl)-6-phenylmethoxy-1-propylindole-3-carbonitrile;N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]propane-2-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]acetamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]-2,2-dimethylpropanamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]-3-phenylbutanamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]propanamide has a molecular weight of 2520.70 g/mol, XLogP of 34.27, 34 rotatable bonds, 6 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-aminophenyl)-6-phenylmethoxy-1-propylindole-3-carbonitrile;N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]propane-2-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]acetamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]-2,2-dimethylpropanamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]-3-phenylbutanamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]propanamide is sourced from PubChem (CID 159043348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).