N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]cyclopropanecarboxamide;N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]ethanesulfonamide;ethyl N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]carbamate;ethyl N-[4-[3-cyano-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate;ethyl N-[4-[3-cyano-1-ethyl-6-(3-pyrrolidin-1-ylpropoxy)indol-2-yl]phenyl]carbamate;propyl N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]carbamate

C143H154F4N20O18S — CID 158279176

IUPACN-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]cyclopropanecarboxamide;N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]ethanesulfonamide;ethyl N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]carbamate;ethyl N-[4-[3-cyano-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate;ethyl N-[4-[3-cyano-1-ethyl-6-(3-pyrrolidin-1-ylpropoxy)indol-2-yl]phenyl]carbamate;propyl N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]carbamate
SMILESCCCOC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCF)cc3n2CC)cc1.CCOC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCCN4CCCC4)cc3n2CC)cc1.CCOC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCCN4CCOCC4)cc3n2CC)cc1.CCOC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCF)cc3n2CC)cc1.CCn1c(-c2ccc(NC(=O)C3CC3)cc2)c(C#N)c2ccc(OCCF)cc21.CCn1c(-c2ccc(NS(=O)(=O)CC)cc2)c(C#N)c2ccc(OCCF)cc21
InChIInChI=1S/C27H32N4O4.C27H32N4O3.C23H24FN3O3.C23H22FN3O2.C22H22FN3O3.C21H22FN3O3S/c1-3-31-25-18-22(35-15-5-12-30-13-16-33-17-14-30)10-11-23(25)24(19-28)26(31)20-6-8-21(9-7-20)29-27(32)34-4-2;1-3-31-25-18-22(34-17-7-16-30-14-5-6-15-30)12-13-23(25)24(19-28)26(31)20-8-10-21(11-9-20)29-27(32)33-4-2;1-3-12-30-23(28)26-17-7-5-16(6-8-17)22-20(15-25)19-10-9-18(29-13-11-24)14-21(19)27(22)4-2;1-2-27-21-13-18(29-12-11-24)9-10-19(21)20(14-25)22(27)15-5-7-17(8-6-15)26-23(28)16-3-4-16;1-3-26-20-13-17(29-12-11-23)9-10-18(20)19(14-24)21(26)15-5-7-16(8-6-15)25-22(27)28-4-2;1-3-25-20-13-17(28-12-11-22)9-10-18(20)19(14-23)21(25)15-5-7-16(8-6-15)24-29(26,27)4-2/h6-11,18H,3-5,12-17H2,1-2H3,(H,29,32);8-13,18H,3-7,14-17H2,1-2H3,(H,29,32);5-10,14H,3-4,11-13H2,1-2H3,(H,26,28);5-10,13,16H,2-4,11-12H2,1H3,(H,26,28);5-10,13H,3-4,11-12H2,1-2H3,(H,25,27);5-10,13,24H,3-4,11-12H2,1-2H3
InChIKeyGJZNOYIWRXVJHS-UHFFFAOYSA-N
MW2548.99 g/mol
LogP30.33
Rot. Bonds48

About N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]cyclopropanecarboxamide;N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]ethanesulfonamide;ethyl N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]carbamate;ethyl N-[4-[3-cyano-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate;ethyl N-[4-[3-cyano-1-ethyl-6-(3-pyrrolidin-1-ylpropoxy)indol-2-yl]phenyl]carbamate;propyl N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]carbamate

N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]cyclopropanecarboxamide;N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]ethanesulfonamide;ethyl N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]carbamate;ethyl N-[4-[3-cyano-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate;ethyl N-[4-[3-cyano-1-ethyl-6-(3-pyrrolidin-1-ylpropoxy)indol-2-yl]phenyl]carbamate;propyl N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]carbamate (PubChem CID 158279176) has the molecular formula C143H154F4N20O18S and a molecular weight of 2548.99 g/mol. Its IUPAC name is N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]cyclopropanecarboxamide;N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]ethanesulfonamide;ethyl N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]carbamate;ethyl N-[4-[3-cyano-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate;ethyl N-[4-[3-cyano-1-ethyl-6-(3-pyrrolidin-1-ylpropoxy)indol-2-yl]phenyl]carbamate;propyl N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]carbamate.

Molecular Properties

Compound NameN-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]cyclopropanecarboxamide;N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]ethanesulfonamide;ethyl N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]carbamate;ethyl N-[4-[3-cyano-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate;ethyl N-[4-[3-cyano-1-ethyl-6-(3-pyrrolidin-1-ylpropoxy)indol-2-yl]phenyl]carbamate;propyl N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]carbamate
PubChem CID158279176
Molecular FormulaC143H154F4N20O18S
Molecular Weight2548.99 g/mol
Exact Mass2547.14
IUPAC NameN-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]cyclopropanecarboxamide;N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]ethanesulfonamide;ethyl N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]carbamate;ethyl N-[4-[3-cyano-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate;ethyl N-[4-[3-cyano-1-ethyl-6-(3-pyrrolidin-1-ylpropoxy)indol-2-yl]phenyl]carbamate;propyl N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]carbamate
SMILESCCCOC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCF)cc3n2CC)cc1.CCOC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCCN4CCCC4)cc3n2CC)cc1.CCOC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCCN4CCOCC4)cc3n2CC)cc1.CCOC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCF)cc3n2CC)cc1.CCn1c(-c2ccc(NC(=O)C3CC3)cc2)c(C#N)c2ccc(OCCF)cc21.CCn1c(-c2ccc(NS(=O)(=O)CC)cc2)c(C#N)c2ccc(OCCF)cc21
InChIInChI=1S/C27H32N4O4.C27H32N4O3.C23H24FN3O3.C23H22FN3O2.C22H22FN3O3.C21H22FN3O3S/c1-3-31-25-18-22(35-15-5-12-30-13-16-33-17-14-30)10-11-23(25)24(19-28)26(31)20-6-8-21(9-7-20)29-27(32)34-4-2;1-3-31-25-18-22(34-17-7-16-30-14-5-6-15-30)12-13-23(25)24(19-28)26(31)20-8-10-21(11-9-20)29-27(32)33-4-2;1-3-12-30-23(28)26-17-7-5-16(6-8-17)22-20(15-25)19-10-9-18(29-13-11-24)14-21(19)27(22)4-2;1-2-27-21-13-18(29-12-11-24)9-10-19(21)20(14-25)22(27)15-5-7-17(8-6-15)26-23(28)16-3-4-16;1-3-26-20-13-17(29-12-11-23)9-10-18(20)19(14-24)21(26)15-5-7-16(8-6-15)25-22(27)28-4-2;1-3-25-20-13-17(28-12-11-22)9-10-18(20)19(14-23)21(25)15-5-7-16(8-6-15)24-29(26,27)4-2/h6-11,18H,3-5,12-17H2,1-2H3,(H,29,32);8-13,18H,3-7,14-17H2,1-2H3,(H,29,32);5-10,14H,3-4,11-13H2,1-2H3,(H,26,28);5-10,13,16H,2-4,11-12H2,1H3,(H,26,28);5-10,13H,3-4,11-12H2,1-2H3,(H,25,27);5-10,13,24H,3-4,11-12H2,1-2H3
InChIKeyGJZNOYIWRXVJHS-UHFFFAOYSA-N
XLogP30.33
TPSA472.00 Ų
H-Bond Donors6
H-Bond Acceptors32
Rotatable Bonds48
Heavy Atoms186
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002548.99
LogP ≤ 530.33
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]cyclopropanecarboxamide;N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]ethanesulfonamide;ethyl N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]carbamate;ethyl N-[4-[3-cyano-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate;ethyl N-[4-[3-cyano-1-ethyl-6-(3-pyrrolidin-1-ylpropoxy)indol-2-yl]phenyl]carbamate;propyl N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]cyclopropanecarboxamide;N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]ethanesulfonamide;ethyl N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]carbamate;ethyl N-[4-[3-cyano-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate;ethyl N-[4-[3-cyano-1-ethyl-6-(3-pyrrolidin-1-ylpropoxy)indol-2-yl]phenyl]carbamate;propyl N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]carbamate?
The IUPAC name of N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]cyclopropanecarboxamide;N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]ethanesulfonamide;ethyl N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]carbamate;ethyl N-[4-[3-cyano-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate;ethyl N-[4-[3-cyano-1-ethyl-6-(3-pyrrolidin-1-ylpropoxy)indol-2-yl]phenyl]carbamate;propyl N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]carbamate (CID 158279176) is N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]cyclopropanecarboxamide;N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]ethanesulfonamide;ethyl N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]carbamate;ethyl N-[4-[3-cyano-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate;ethyl N-[4-[3-cyano-1-ethyl-6-(3-pyrrolidin-1-ylpropoxy)indol-2-yl]phenyl]carbamate;propyl N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]carbamate.
What is the SMILES notation for N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]cyclopropanecarboxamide;N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]ethanesulfonamide;ethyl N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]carbamate;ethyl N-[4-[3-cyano-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate;ethyl N-[4-[3-cyano-1-ethyl-6-(3-pyrrolidin-1-ylpropoxy)indol-2-yl]phenyl]carbamate;propyl N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]carbamate?
The canonical SMILES for N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]cyclopropanecarboxamide;N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]ethanesulfonamide;ethyl N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]carbamate;ethyl N-[4-[3-cyano-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate;ethyl N-[4-[3-cyano-1-ethyl-6-(3-pyrrolidin-1-ylpropoxy)indol-2-yl]phenyl]carbamate;propyl N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]carbamate is CCCOC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCF)cc3n2CC)cc1.CCOC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCCN4CCCC4)cc3n2CC)cc1.CCOC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCCN4CCOCC4)cc3n2CC)cc1.CCOC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCF)cc3n2CC)cc1.CCn1c(-c2ccc(NC(=O)C3CC3)cc2)c(C#N)c2ccc(OCCF)cc21.CCn1c(-c2ccc(NS(=O)(=O)CC)cc2)c(C#N)c2ccc(OCCF)cc21.
What is the InChIKey of N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]cyclopropanecarboxamide;N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]ethanesulfonamide;ethyl N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]carbamate;ethyl N-[4-[3-cyano-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate;ethyl N-[4-[3-cyano-1-ethyl-6-(3-pyrrolidin-1-ylpropoxy)indol-2-yl]phenyl]carbamate;propyl N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]carbamate?
The InChIKey is GJZNOYIWRXVJHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O4.C27H32N4O3.C23H24FN3O3.C23H22FN3O2.C22H22FN3O3.C21H22FN3O3S/c1-3-31-25-18-22(35-15-5-12-30-13-16-33-17-14-30)10-11-23(25)24(19-28)26(31)20-6-8-21(9-7-20)29-27(32)34-4-2;1-3-31-25-18-22(34-17-7-16-30-14-5-6-15-30)12-13-23(25)24(19-28)26(31)20-8-10-21(11-9-20)29-27(32)33-4-2;1-3-12-30-23(28)26-17-7-5-16(6-8-17)22-20(15-25)19-10-9-18(29-13-11-24)14-21(19)27(22)4-2;1-2-27-21-13-18(29-12-11-24)9-10-19(21)20(14-25)22(27)15-5-7-17(8-6-15)26-23(28)16-3-4-16;1-3-26-20-13-17(29-12-11-23)9-10-18(20)19(14-24)21(26)15-5-7-16(8-6-15)25-22(27)28-4-2;1-3-25-20-13-17(28-12-11-22)9-10-18(20)19(14-23)21(25)15-5-7-16(8-6-15)24-29(26,27)4-2/h6-11,18H,3-5,12-17H2,1-2H3,(H,29,32);8-13,18H,3-7,14-17H2,1-2H3,(H,29,32);5-10,14H,3-4,11-13H2,1-2H3,(H,26,28);5-10,13,16H,2-4,11-12H2,1H3,(H,26,28);5-10,13H,3-4,11-12H2,1-2H3,(H,25,27);5-10,13,24H,3-4,11-12H2,1-2H3.
What are the key properties of N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]cyclopropanecarboxamide;N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]ethanesulfonamide;ethyl N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]carbamate;ethyl N-[4-[3-cyano-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate;ethyl N-[4-[3-cyano-1-ethyl-6-(3-pyrrolidin-1-ylpropoxy)indol-2-yl]phenyl]carbamate;propyl N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]carbamate?
N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]cyclopropanecarboxamide;N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]ethanesulfonamide;ethyl N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]carbamate;ethyl N-[4-[3-cyano-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate;ethyl N-[4-[3-cyano-1-ethyl-6-(3-pyrrolidin-1-ylpropoxy)indol-2-yl]phenyl]carbamate;propyl N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]carbamate has a molecular weight of 2548.99 g/mol, XLogP of 30.33, 48 rotatable bonds, 6 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]cyclopropanecarboxamide;N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]ethanesulfonamide;ethyl N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]carbamate;ethyl N-[4-[3-cyano-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate;ethyl N-[4-[3-cyano-1-ethyl-6-(3-pyrrolidin-1-ylpropoxy)indol-2-yl]phenyl]carbamate;propyl N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]carbamate is sourced from PubChem (CID 158279176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).