benzyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;5-chloro-1-ethylindole-3-carbonitrile;6-chloro-1-ethylindole-3-carbonitrile;6-chloro-1-(4-methoxyphenyl)indole-3-carbonitrile;ethyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile

C97H82Cl3F3N14O7 — CID 159291447

IUPACbenzyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;5-chloro-1-ethylindole-3-carbonitrile;6-chloro-1-ethylindole-3-carbonitrile;6-chloro-1-(4-methoxyphenyl)indole-3-carbonitrile;ethyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile
SMILESCCOC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC)cc3n2CC)cc1.CCn1c(-c2ccc(NC(=O)OCc3ccccc3)cc2)c(C#N)c2ccc(OC)cc21.CCn1cc(C#N)c2cc(Cl)ccc21.CCn1cc(C#N)c2ccc(C(F)(F)F)cc21.CCn1cc(C#N)c2ccc(Cl)cc21.COc1ccc(-n2cc(C#N)c3ccc(Cl)cc32)cc1
InChIInChI=1S/C26H23N3O3.C21H21N3O3.C16H11ClN2O.C12H9F3N2.2C11H9ClN2/c1-3-29-24-15-21(31-2)13-14-22(24)23(16-27)25(29)19-9-11-20(12-10-19)28-26(30)32-17-18-7-5-4-6-8-18;1-4-24-19-12-16(26-3)10-11-17(19)18(13-22)20(24)14-6-8-15(9-7-14)23-21(25)27-5-2;1-20-14-5-3-13(4-6-14)19-10-11(9-18)15-7-2-12(17)8-16(15)19;1-2-17-7-8(6-16)10-4-3-9(5-11(10)17)12(13,14)15;1-2-14-7-8(6-13)10-5-9(12)3-4-11(10)14;1-2-14-7-8(6-13)10-4-3-9(12)5-11(10)14/h4-15H,3,17H2,1-2H3,(H,28,30);6-12H,4-5H2,1-3H3,(H,23,25);2-8,10H,1H3;3-5,7H,2H2,1H3;2*3-5,7H,2H2,1H3
InChIKeyLAEIEISEBGPHOZ-UHFFFAOYSA-N
MW1719.17 g/mol
LogP24.82
Rot. Bonds16

About benzyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;5-chloro-1-ethylindole-3-carbonitrile;6-chloro-1-ethylindole-3-carbonitrile;6-chloro-1-(4-methoxyphenyl)indole-3-carbonitrile;ethyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile

benzyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;5-chloro-1-ethylindole-3-carbonitrile;6-chloro-1-ethylindole-3-carbonitrile;6-chloro-1-(4-methoxyphenyl)indole-3-carbonitrile;ethyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile (PubChem CID 159291447) has the molecular formula C97H82Cl3F3N14O7 and a molecular weight of 1719.17 g/mol. Its IUPAC name is benzyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;5-chloro-1-ethylindole-3-carbonitrile;6-chloro-1-ethylindole-3-carbonitrile;6-chloro-1-(4-methoxyphenyl)indole-3-carbonitrile;ethyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile.

Molecular Properties

Compound Namebenzyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;5-chloro-1-ethylindole-3-carbonitrile;6-chloro-1-ethylindole-3-carbonitrile;6-chloro-1-(4-methoxyphenyl)indole-3-carbonitrile;ethyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile
PubChem CID159291447
Molecular FormulaC97H82Cl3F3N14O7
Molecular Weight1719.17 g/mol
Exact Mass1716.55
IUPAC Namebenzyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;5-chloro-1-ethylindole-3-carbonitrile;6-chloro-1-ethylindole-3-carbonitrile;6-chloro-1-(4-methoxyphenyl)indole-3-carbonitrile;ethyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile
SMILESCCOC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC)cc3n2CC)cc1.CCn1c(-c2ccc(NC(=O)OCc3ccccc3)cc2)c(C#N)c2ccc(OC)cc21.CCn1cc(C#N)c2cc(Cl)ccc21.CCn1cc(C#N)c2ccc(C(F)(F)F)cc21.CCn1cc(C#N)c2ccc(Cl)cc21.COc1ccc(-n2cc(C#N)c3ccc(Cl)cc32)cc1
InChIInChI=1S/C26H23N3O3.C21H21N3O3.C16H11ClN2O.C12H9F3N2.2C11H9ClN2/c1-3-29-24-15-21(31-2)13-14-22(24)23(16-27)25(29)19-9-11-20(12-10-19)28-26(30)32-17-18-7-5-4-6-8-18;1-4-24-19-12-16(26-3)10-11-17(19)18(13-22)20(24)14-6-8-15(9-7-14)23-21(25)27-5-2;1-20-14-5-3-13(4-6-14)19-10-11(9-18)15-7-2-12(17)8-16(15)19;1-2-17-7-8(6-16)10-4-3-9(5-11(10)17)12(13,14)15;1-2-14-7-8(6-13)10-5-9(12)3-4-11(10)14;1-2-14-7-8(6-13)10-4-3-9(12)5-11(10)14/h4-15H,3,17H2,1-2H3,(H,28,30);6-12H,4-5H2,1-3H3,(H,23,25);2-8,10H,1H3;3-5,7H,2H2,1H3;2*3-5,7H,2H2,1H3
InChIKeyLAEIEISEBGPHOZ-UHFFFAOYSA-N
XLogP24.82
TPSA276.67 Ų
H-Bond Donors2
H-Bond Acceptors19
Rotatable Bonds16
Heavy Atoms124
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001719.17
LogP ≤ 524.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1019

Analyze benzyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;5-chloro-1-ethylindole-3-carbonitrile;6-chloro-1-ethylindole-3-carbonitrile;6-chloro-1-(4-methoxyphenyl)indole-3-carbonitrile;ethyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile with MolForge

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Related Compounds

3-chloro-N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]butane-1-sulfonamide;N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]-2,2,2-trifluoroethanesulfonamide;N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(difluoromethoxy)indol-2-yl]phenyl]ethanesulfonamide;ethyl N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]carbamate
CID 157618580
propan-2-yl N-[4-[3-(4-chlorophenyl)-1-cyclobutyl-6-ethoxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-(4-chlorophenyl)-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-(4-cyanophenyl)-1-cyclobutyl-6-ethoxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-(4-fluorophenyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(4-fluorophenyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-[4-(trifluoromethyl)phenyl]indol-2-yl]phenyl]carbamate
CID 158876079
1-(1,3-benzodioxol-5-yl)-2,6-dimethylindole-3-carbonitrile;1-(1,3-benzodioxol-5-yl)-6-fluoro-2-methylindole-3-carbonitrile;benzyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;ethyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile
CID 159051800
3-chloro-N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]butane-1-sulfonamide;N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]-2,2,2-trifluoroethanesulfonamide;N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(difluoromethoxy)indol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(difluoromethoxy)indol-2-yl]phenyl]methanesulfonamide;ethyl N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]carbamate
CID 159480832
1-(1,3-benzodioxol-5-yl)-6-fluoro-2-methylindole-3-carbonitrile;benzyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;5-chloro-1-ethylindole-3-carbonitrile;6-chloro-1-(4-methoxyphenyl)indole-3-carbonitrile;ethyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile
CID 159593507
3-chloro-N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]butane-1-sulfonamide;N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]-2,2,2-trifluoroethanesulfonamide;N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(difluoromethoxy)indol-2-yl]phenyl]ethanesulfonamide;ethyl N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]carbamate;propyl N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]carbamate
CID 160069281
2-[4-[[(E)-1-cyanoprop-1-en-2-yl]amino]phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;propan-2-yl N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]carbamate;prop-2-enyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]carbamate;propyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]carbamate
CID 160619848
1-(1,3-benzodioxol-5-yl)-2,6-dimethylindole-3-carbonitrile;1-(1,3-benzodioxol-5-yl)-6-fluoro-2-methylindole-3-carbonitrile;benzyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)cyclohexyl]carbamate;6-bromo-1-ethylindole-3-carbonitrile;5-chloro-1-ethylindole-3-carbonitrile;6-chloro-1-ethylindole-3-carbonitrile;6-chloro-1-(4-methoxyphenyl)indole-3-carbonitrile;ethyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;1-(4-ethylphenyl)indole-3-carbonitrile;1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile
CID 160631596
5-chloro-1,2-di(propan-2-yl)indole;6-chloro-1,2-di(propan-2-yl)indole;N-cyclopropyl-1,2-di(propan-2-yl)indole-6-carboxamide;1,2-di(propan-2-yl)indole;1,2-di(propan-2-yl)indole-5-carbonitrile;1,2-di(propan-2-yl)indole-6-carbonitrile;1,2-di(propan-2-yl)-6-(trifluoromethyl)indole;4-fluoro-1,2-di(propan-2-yl)indole;5-methoxy-1,2-di(propan-2-yl)indole;6-methoxy-1,2-di(propan-2-yl)indole;5-methyl-1,2-di(propan-2-yl)indole;6-methyl-1,2-di(propan-2-yl)indole;methyl 1,2-di(propan-2-yl)indole-6-carboxylate
CID 165079082
benzyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;3-chloropropyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;2-fluoroethyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;(4-methoxyphenyl) N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;prop-1-en-2-yl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate
CID 157115467
3-chloro-N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]butane-1-sulfonamide;N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(difluoromethoxy)indol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(difluoromethoxy)indol-2-yl]phenyl]methanesulfonamide;N-[4-[3-cyano-1-(cyclopropylmethyl)-6-methoxyindol-2-yl]phenyl]methanesulfonamide;ethyl N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]carbamate
CID 157202669
N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]-1-phenylmethanesulfonamide;N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]propane-2-sulfonamide;ethyl N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]carbamate;propyl N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]carbamate
CID 157207304

Frequently Asked Questions

What is the IUPAC name of benzyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;5-chloro-1-ethylindole-3-carbonitrile;6-chloro-1-ethylindole-3-carbonitrile;6-chloro-1-(4-methoxyphenyl)indole-3-carbonitrile;ethyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile?
The IUPAC name of benzyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;5-chloro-1-ethylindole-3-carbonitrile;6-chloro-1-ethylindole-3-carbonitrile;6-chloro-1-(4-methoxyphenyl)indole-3-carbonitrile;ethyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile (CID 159291447) is benzyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;5-chloro-1-ethylindole-3-carbonitrile;6-chloro-1-ethylindole-3-carbonitrile;6-chloro-1-(4-methoxyphenyl)indole-3-carbonitrile;ethyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile.
What is the SMILES notation for benzyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;5-chloro-1-ethylindole-3-carbonitrile;6-chloro-1-ethylindole-3-carbonitrile;6-chloro-1-(4-methoxyphenyl)indole-3-carbonitrile;ethyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile?
The canonical SMILES for benzyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;5-chloro-1-ethylindole-3-carbonitrile;6-chloro-1-ethylindole-3-carbonitrile;6-chloro-1-(4-methoxyphenyl)indole-3-carbonitrile;ethyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile is CCOC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC)cc3n2CC)cc1.CCn1c(-c2ccc(NC(=O)OCc3ccccc3)cc2)c(C#N)c2ccc(OC)cc21.CCn1cc(C#N)c2cc(Cl)ccc21.CCn1cc(C#N)c2ccc(C(F)(F)F)cc21.CCn1cc(C#N)c2ccc(Cl)cc21.COc1ccc(-n2cc(C#N)c3ccc(Cl)cc32)cc1.
What is the InChIKey of benzyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;5-chloro-1-ethylindole-3-carbonitrile;6-chloro-1-ethylindole-3-carbonitrile;6-chloro-1-(4-methoxyphenyl)indole-3-carbonitrile;ethyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile?
The InChIKey is LAEIEISEBGPHOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O3.C21H21N3O3.C16H11ClN2O.C12H9F3N2.2C11H9ClN2/c1-3-29-24-15-21(31-2)13-14-22(24)23(16-27)25(29)19-9-11-20(12-10-19)28-26(30)32-17-18-7-5-4-6-8-18;1-4-24-19-12-16(26-3)10-11-17(19)18(13-22)20(24)14-6-8-15(9-7-14)23-21(25)27-5-2;1-20-14-5-3-13(4-6-14)19-10-11(9-18)15-7-2-12(17)8-16(15)19;1-2-17-7-8(6-16)10-4-3-9(5-11(10)17)12(13,14)15;1-2-14-7-8(6-13)10-5-9(12)3-4-11(10)14;1-2-14-7-8(6-13)10-4-3-9(12)5-11(10)14/h4-15H,3,17H2,1-2H3,(H,28,30);6-12H,4-5H2,1-3H3,(H,23,25);2-8,10H,1H3;3-5,7H,2H2,1H3;2*3-5,7H,2H2,1H3.
What are the key properties of benzyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;5-chloro-1-ethylindole-3-carbonitrile;6-chloro-1-ethylindole-3-carbonitrile;6-chloro-1-(4-methoxyphenyl)indole-3-carbonitrile;ethyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile?
benzyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;5-chloro-1-ethylindole-3-carbonitrile;6-chloro-1-ethylindole-3-carbonitrile;6-chloro-1-(4-methoxyphenyl)indole-3-carbonitrile;ethyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile has a molecular weight of 1719.17 g/mol, XLogP of 24.82, 16 rotatable bonds, 2 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;5-chloro-1-ethylindole-3-carbonitrile;6-chloro-1-ethylindole-3-carbonitrile;6-chloro-1-(4-methoxyphenyl)indole-3-carbonitrile;ethyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile is sourced from PubChem (CID 159291447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).