2-chloro-N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]acetamide;N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-6-ethoxy-1-propan-2-ylindol-2-yl)phenyl]methanesulfonamide;N-[4-(3-cyano-6-ethoxy-1-propylindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-6-ethoxy-1-propylindol-2-yl)phenyl]methanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]acetamide

C125H125ClF6N18O14S4 — CID 161224217

IUPAC2-chloro-N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]acetamide;N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-6-ethoxy-1-propan-2-ylindol-2-yl)phenyl]methanesulfonamide;N-[4-(3-cyano-6-ethoxy-1-propylindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-6-ethoxy-1-propylindol-2-yl)phenyl]methanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]acetamide
SMILESCCCn1c(-c2ccc(NS(=O)(=O)CC)cc2)c(C#N)c2ccc(OCC)cc21.CCCn1c(-c2ccc(NS(C)(=O)=O)cc2)c(C#N)c2ccc(OCC)cc21.CCOc1ccc2c(C#N)c(-c3ccc(NS(=O)(=O)CC)cc3)n(CC)c2c1.CCOc1ccc2c(C#N)c(-c3ccc(NS(C)(=O)=O)cc3)n(C(C)C)c2c1.CCn1c(-c2ccc(NC(=O)CCl)cc2)c(C#N)c2ccc(C(F)(F)F)cc21.CCn1c(-c2ccc(NC(C)=O)cc2)c(C#N)c2ccc(C(F)(F)F)cc21
InChIInChI=1S/C22H25N3O3S.3C21H23N3O3S.C20H15ClF3N3O.C20H16F3N3O/c1-4-13-25-21-14-18(28-5-2)11-12-19(21)20(15-23)22(25)16-7-9-17(10-8-16)24-29(26,27)6-3;1-5-27-17-10-11-18-19(13-22)21(24(14(2)3)20(18)12-17)15-6-8-16(9-7-15)23-28(4,25)26;1-4-12-24-20-13-17(27-5-2)10-11-18(20)19(14-22)21(24)15-6-8-16(9-7-15)23-28(3,25)26;1-4-24-20-13-17(27-5-2)11-12-18(20)19(14-22)21(24)15-7-9-16(10-8-15)23-28(25,26)6-3;1-2-27-17-9-13(20(22,23)24)5-8-15(17)16(11-25)19(27)12-3-6-14(7-4-12)26-18(28)10-21;1-3-26-18-10-14(20(21,22)23)6-9-16(18)17(11-24)19(26)13-4-7-15(8-5-13)25-12(2)27/h7-12,14,24H,4-6,13H2,1-3H3;6-12,14,23H,5H2,1-4H3;6-11,13,23H,4-5,12H2,1-3H3;7-13,23H,4-6H2,1-3H3;3-9H,2,10H2,1H3,(H,26,28);4-10H,3H2,1-2H3,(H,25,27)
InChIKeyUXXHIZWAFVKBKJ-UHFFFAOYSA-N
MW2381.20 g/mol
LogP28.57
Rot. Bonds35

About 2-chloro-N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]acetamide;N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-6-ethoxy-1-propan-2-ylindol-2-yl)phenyl]methanesulfonamide;N-[4-(3-cyano-6-ethoxy-1-propylindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-6-ethoxy-1-propylindol-2-yl)phenyl]methanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]acetamide

2-chloro-N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]acetamide;N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-6-ethoxy-1-propan-2-ylindol-2-yl)phenyl]methanesulfonamide;N-[4-(3-cyano-6-ethoxy-1-propylindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-6-ethoxy-1-propylindol-2-yl)phenyl]methanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]acetamide (PubChem CID 161224217) has the molecular formula C125H125ClF6N18O14S4 and a molecular weight of 2381.20 g/mol. Its IUPAC name is 2-chloro-N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]acetamide;N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-6-ethoxy-1-propan-2-ylindol-2-yl)phenyl]methanesulfonamide;N-[4-(3-cyano-6-ethoxy-1-propylindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-6-ethoxy-1-propylindol-2-yl)phenyl]methanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]acetamide;N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-6-ethoxy-1-propan-2-ylindol-2-yl)phenyl]methanesulfonamide;N-[4-(3-cyano-6-ethoxy-1-propylindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-6-ethoxy-1-propylindol-2-yl)phenyl]methanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]acetamide
PubChem CID161224217
Molecular FormulaC125H125ClF6N18O14S4
Molecular Weight2381.20 g/mol
Exact Mass2378.81
IUPAC Name2-chloro-N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]acetamide;N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-6-ethoxy-1-propan-2-ylindol-2-yl)phenyl]methanesulfonamide;N-[4-(3-cyano-6-ethoxy-1-propylindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-6-ethoxy-1-propylindol-2-yl)phenyl]methanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]acetamide
SMILESCCCn1c(-c2ccc(NS(=O)(=O)CC)cc2)c(C#N)c2ccc(OCC)cc21.CCCn1c(-c2ccc(NS(C)(=O)=O)cc2)c(C#N)c2ccc(OCC)cc21.CCOc1ccc2c(C#N)c(-c3ccc(NS(=O)(=O)CC)cc3)n(CC)c2c1.CCOc1ccc2c(C#N)c(-c3ccc(NS(C)(=O)=O)cc3)n(C(C)C)c2c1.CCn1c(-c2ccc(NC(=O)CCl)cc2)c(C#N)c2ccc(C(F)(F)F)cc21.CCn1c(-c2ccc(NC(C)=O)cc2)c(C#N)c2ccc(C(F)(F)F)cc21
InChIInChI=1S/C22H25N3O3S.3C21H23N3O3S.C20H15ClF3N3O.C20H16F3N3O/c1-4-13-25-21-14-18(28-5-2)11-12-19(21)20(15-23)22(25)16-7-9-17(10-8-16)24-29(26,27)6-3;1-5-27-17-10-11-18-19(13-22)21(24(14(2)3)20(18)12-17)15-6-8-16(9-7-15)23-28(4,25)26;1-4-12-24-20-13-17(27-5-2)10-11-18(20)19(14-22)21(24)15-6-8-16(9-7-15)23-28(3,25)26;1-4-24-20-13-17(27-5-2)11-12-18(20)19(14-22)21(24)15-7-9-16(10-8-15)23-28(25,26)6-3;1-2-27-17-9-13(20(22,23)24)5-8-15(17)16(11-25)19(27)12-3-6-14(7-4-12)26-18(28)10-21;1-3-26-18-10-14(20(21,22)23)6-9-16(18)17(11-24)19(26)13-4-7-15(8-5-13)25-12(2)27/h7-12,14,24H,4-6,13H2,1-3H3;6-12,14,23H,5H2,1-4H3;6-11,13,23H,4-5,12H2,1-3H3;7-13,23H,4-6H2,1-3H3;3-9H,2,10H2,1H3,(H,26,28);4-10H,3H2,1-2H3,(H,25,27)
InChIKeyUXXHIZWAFVKBKJ-UHFFFAOYSA-N
XLogP28.57
TPSA452.12 Ų
H-Bond Donors6
H-Bond Acceptors26
Rotatable Bonds35
Heavy Atoms168
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002381.20
LogP ≤ 528.57
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

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

Analyze 2-chloro-N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]acetamide;N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-6-ethoxy-1-propan-2-ylindol-2-yl)phenyl]methanesulfonamide;N-[4-(3-cyano-6-ethoxy-1-propylindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-6-ethoxy-1-propylindol-2-yl)phenyl]methanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]acetamide;N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-6-ethoxy-1-propan-2-ylindol-2-yl)phenyl]methanesulfonamide;N-[4-(3-cyano-6-ethoxy-1-propylindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-6-ethoxy-1-propylindol-2-yl)phenyl]methanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]acetamide?
The IUPAC name of 2-chloro-N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]acetamide;N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-6-ethoxy-1-propan-2-ylindol-2-yl)phenyl]methanesulfonamide;N-[4-(3-cyano-6-ethoxy-1-propylindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-6-ethoxy-1-propylindol-2-yl)phenyl]methanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]acetamide (CID 161224217) is 2-chloro-N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]acetamide;N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-6-ethoxy-1-propan-2-ylindol-2-yl)phenyl]methanesulfonamide;N-[4-(3-cyano-6-ethoxy-1-propylindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-6-ethoxy-1-propylindol-2-yl)phenyl]methanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]acetamide.
What is the SMILES notation for 2-chloro-N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]acetamide;N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-6-ethoxy-1-propan-2-ylindol-2-yl)phenyl]methanesulfonamide;N-[4-(3-cyano-6-ethoxy-1-propylindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-6-ethoxy-1-propylindol-2-yl)phenyl]methanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]acetamide?
The canonical SMILES for 2-chloro-N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]acetamide;N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-6-ethoxy-1-propan-2-ylindol-2-yl)phenyl]methanesulfonamide;N-[4-(3-cyano-6-ethoxy-1-propylindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-6-ethoxy-1-propylindol-2-yl)phenyl]methanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]acetamide is CCCn1c(-c2ccc(NS(=O)(=O)CC)cc2)c(C#N)c2ccc(OCC)cc21.CCCn1c(-c2ccc(NS(C)(=O)=O)cc2)c(C#N)c2ccc(OCC)cc21.CCOc1ccc2c(C#N)c(-c3ccc(NS(=O)(=O)CC)cc3)n(CC)c2c1.CCOc1ccc2c(C#N)c(-c3ccc(NS(C)(=O)=O)cc3)n(C(C)C)c2c1.CCn1c(-c2ccc(NC(=O)CCl)cc2)c(C#N)c2ccc(C(F)(F)F)cc21.CCn1c(-c2ccc(NC(C)=O)cc2)c(C#N)c2ccc(C(F)(F)F)cc21.
What is the InChIKey of 2-chloro-N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]acetamide;N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-6-ethoxy-1-propan-2-ylindol-2-yl)phenyl]methanesulfonamide;N-[4-(3-cyano-6-ethoxy-1-propylindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-6-ethoxy-1-propylindol-2-yl)phenyl]methanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]acetamide?
The InChIKey is UXXHIZWAFVKBKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3S.3C21H23N3O3S.C20H15ClF3N3O.C20H16F3N3O/c1-4-13-25-21-14-18(28-5-2)11-12-19(21)20(15-23)22(25)16-7-9-17(10-8-16)24-29(26,27)6-3;1-5-27-17-10-11-18-19(13-22)21(24(14(2)3)20(18)12-17)15-6-8-16(9-7-15)23-28(4,25)26;1-4-12-24-20-13-17(27-5-2)10-11-18(20)19(14-22)21(24)15-6-8-16(9-7-15)23-28(3,25)26;1-4-24-20-13-17(27-5-2)11-12-18(20)19(14-22)21(24)15-7-9-16(10-8-15)23-28(25,26)6-3;1-2-27-17-9-13(20(22,23)24)5-8-15(17)16(11-25)19(27)12-3-6-14(7-4-12)26-18(28)10-21;1-3-26-18-10-14(20(21,22)23)6-9-16(18)17(11-24)19(26)13-4-7-15(8-5-13)25-12(2)27/h7-12,14,24H,4-6,13H2,1-3H3;6-12,14,23H,5H2,1-4H3;6-11,13,23H,4-5,12H2,1-3H3;7-13,23H,4-6H2,1-3H3;3-9H,2,10H2,1H3,(H,26,28);4-10H,3H2,1-2H3,(H,25,27).
What are the key properties of 2-chloro-N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]acetamide;N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-6-ethoxy-1-propan-2-ylindol-2-yl)phenyl]methanesulfonamide;N-[4-(3-cyano-6-ethoxy-1-propylindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-6-ethoxy-1-propylindol-2-yl)phenyl]methanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]acetamide?
2-chloro-N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]acetamide;N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-6-ethoxy-1-propan-2-ylindol-2-yl)phenyl]methanesulfonamide;N-[4-(3-cyano-6-ethoxy-1-propylindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-6-ethoxy-1-propylindol-2-yl)phenyl]methanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]acetamide has a molecular weight of 2381.20 g/mol, XLogP of 28.57, 35 rotatable bonds, 6 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]acetamide;N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-6-ethoxy-1-propan-2-ylindol-2-yl)phenyl]methanesulfonamide;N-[4-(3-cyano-6-ethoxy-1-propylindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-6-ethoxy-1-propylindol-2-yl)phenyl]methanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]acetamide is sourced from PubChem (CID 161224217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).