2-(4-aminophenyl)-5-chloro-1-ethylindole-3-carbonitrile;1-butyl-3-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]urea;N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]methanesulfonamide;1-(2-chloroethyl)-3-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]urea;1-(3-chloropropyl)-3-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]urea;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(3,4-dimethoxyphenyl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(4-nitrophenyl)benzamide;1-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-propan-2-ylurea;1-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-prop-2-enylurea;1-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-propylurea

C219H215Cl4N37O22S — CID 159587847

IUPAC2-(4-aminophenyl)-5-chloro-1-ethylindole-3-carbonitrile;1-butyl-3-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]urea;N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]methanesulfonamide;1-(2-chloroethyl)-3-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]urea;1-(3-chloropropyl)-3-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]urea;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(3,4-dimethoxyphenyl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(4-nitrophenyl)benzamide;1-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-propan-2-ylurea;1-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-prop-2-enylurea;1-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-propylurea
SMILESC=CCNC(=O)Nc1cccc(-c2c(C#N)c3ccc(OC)cc3n2CC)c1.CCCCNC(=O)Nc1cccc(-c2c(C#N)c3ccc(OC)cc3n2CC)c1.CCCNC(=O)Nc1cccc(-c2c(C#N)c3ccc(OC)cc3n2CC)c1.CCn1c(-c2ccc(C(=O)Nc3ccc(OC)c(OC)c3)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(C(=O)Nc3ccc([N+](=O)[O-])cc3)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(N)cc2)c(C#N)c2cc(Cl)ccc21.CCn1c(-c2ccc(NS(C)(=O)=O)cc2)c(C#N)c2cc(Cl)ccc21.CCn1c(-c2cccc(NC(=O)NC(C)C)c2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2cccc(NC(=O)NCCCCl)c2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2cccc(NC(=O)NCCCl)c2)c(C#N)c2ccc(OC)cc21
InChIInChI=1S/C27H25N3O4.C25H20N4O4.C23H26N4O2.C22H23ClN4O2.2C22H24N4O2.C22H22N4O2.C21H21ClN4O2.C18H16ClN3O2S.C17H14ClN3/c1-5-30-23-15-20(32-2)11-12-21(23)22(16-28)26(30)17-6-8-18(9-7-17)27(31)29-19-10-13-24(33-3)25(14-19)34-4;1-3-28-23-14-20(33-2)12-13-21(23)22(15-26)24(28)16-4-6-17(7-5-16)25(30)27-18-8-10-19(11-9-18)29(31)32;1-4-6-12-25-23(28)26-17-9-7-8-16(13-17)22-20(15-24)19-11-10-18(29-3)14-21(19)27(22)5-2;1-3-27-20-13-17(29-2)8-9-18(20)19(14-24)21(27)15-6-4-7-16(12-15)26-22(28)25-11-5-10-23;1-5-26-20-12-17(28-4)9-10-18(20)19(13-23)21(26)15-7-6-8-16(11-15)25-22(27)24-14(2)3;2*1-4-11-24-22(27)25-16-8-6-7-15(12-16)21-19(14-23)18-10-9-17(28-3)13-20(18)26(21)5-2;1-3-26-19-12-16(28-2)7-8-17(19)18(13-23)20(26)14-5-4-6-15(11-14)25-21(27)24-10-9-22;1-3-22-17-9-6-13(19)10-15(17)16(11-20)18(22)12-4-7-14(8-5-12)21-25(2,23)24;1-2-21-16-8-5-12(18)9-14(16)15(10-19)17(21)11-3-6-13(20)7-4-11/h6-15H,5H2,1-4H3,(H,29,31);4-14H,3H2,1-2H3,(H,27,30);7-11,13-14H,4-6,12H2,1-3H3,(H2,25,26,28);4,6-9,12-13H,3,5,10-11H2,1-2H3,(H2,25,26,28);6-12,14H,5H2,1-4H3,(H2,24,25,27);6-10,12-13H,4-5,11H2,1-3H3,(H2,24,25,27);4,6-10,12-13H,1,5,11H2,2-3H3,(H2,24,25,27);4-8,11-12H,3,9-10H2,1-2H3,(H2,24,25,27);4-10,21H,3H2,1-2H3;3-9H,2,20H2,1H3
InChIKeyKQMOAEUEHVIYSL-UHFFFAOYSA-N
MW3891.24 g/mol
LogP48.16
Rot. Bonds56

About 2-(4-aminophenyl)-5-chloro-1-ethylindole-3-carbonitrile;1-butyl-3-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]urea;N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]methanesulfonamide;1-(2-chloroethyl)-3-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]urea;1-(3-chloropropyl)-3-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]urea;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(3,4-dimethoxyphenyl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(4-nitrophenyl)benzamide;1-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-propan-2-ylurea;1-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-prop-2-enylurea;1-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-propylurea

2-(4-aminophenyl)-5-chloro-1-ethylindole-3-carbonitrile;1-butyl-3-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]urea;N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]methanesulfonamide;1-(2-chloroethyl)-3-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]urea;1-(3-chloropropyl)-3-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]urea;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(3,4-dimethoxyphenyl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(4-nitrophenyl)benzamide;1-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-propan-2-ylurea;1-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-prop-2-enylurea;1-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-propylurea (PubChem CID 159587847) has the molecular formula C219H215Cl4N37O22S and a molecular weight of 3891.24 g/mol. Its IUPAC name is 2-(4-aminophenyl)-5-chloro-1-ethylindole-3-carbonitrile;1-butyl-3-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]urea;N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]methanesulfonamide;1-(2-chloroethyl)-3-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]urea;1-(3-chloropropyl)-3-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]urea;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(3,4-dimethoxyphenyl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(4-nitrophenyl)benzamide;1-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-propan-2-ylurea;1-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-prop-2-enylurea;1-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-propylurea.

Molecular Properties

Compound Name2-(4-aminophenyl)-5-chloro-1-ethylindole-3-carbonitrile;1-butyl-3-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]urea;N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]methanesulfonamide;1-(2-chloroethyl)-3-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]urea;1-(3-chloropropyl)-3-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]urea;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(3,4-dimethoxyphenyl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(4-nitrophenyl)benzamide;1-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-propan-2-ylurea;1-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-prop-2-enylurea;1-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-propylurea
PubChem CID159587847
Molecular FormulaC219H215Cl4N37O22S
Molecular Weight3891.24 g/mol
Exact Mass3886.53
IUPAC Name2-(4-aminophenyl)-5-chloro-1-ethylindole-3-carbonitrile;1-butyl-3-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]urea;N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]methanesulfonamide;1-(2-chloroethyl)-3-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]urea;1-(3-chloropropyl)-3-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]urea;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(3,4-dimethoxyphenyl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(4-nitrophenyl)benzamide;1-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-propan-2-ylurea;1-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-prop-2-enylurea;1-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-propylurea
SMILESC=CCNC(=O)Nc1cccc(-c2c(C#N)c3ccc(OC)cc3n2CC)c1.CCCCNC(=O)Nc1cccc(-c2c(C#N)c3ccc(OC)cc3n2CC)c1.CCCNC(=O)Nc1cccc(-c2c(C#N)c3ccc(OC)cc3n2CC)c1.CCn1c(-c2ccc(C(=O)Nc3ccc(OC)c(OC)c3)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(C(=O)Nc3ccc([N+](=O)[O-])cc3)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(N)cc2)c(C#N)c2cc(Cl)ccc21.CCn1c(-c2ccc(NS(C)(=O)=O)cc2)c(C#N)c2cc(Cl)ccc21.CCn1c(-c2cccc(NC(=O)NC(C)C)c2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2cccc(NC(=O)NCCCCl)c2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2cccc(NC(=O)NCCCl)c2)c(C#N)c2ccc(OC)cc21
InChIInChI=1S/C27H25N3O4.C25H20N4O4.C23H26N4O2.C22H23ClN4O2.2C22H24N4O2.C22H22N4O2.C21H21ClN4O2.C18H16ClN3O2S.C17H14ClN3/c1-5-30-23-15-20(32-2)11-12-21(23)22(16-28)26(30)17-6-8-18(9-7-17)27(31)29-19-10-13-24(33-3)25(14-19)34-4;1-3-28-23-14-20(33-2)12-13-21(23)22(15-26)24(28)16-4-6-17(7-5-16)25(30)27-18-8-10-19(11-9-18)29(31)32;1-4-6-12-25-23(28)26-17-9-7-8-16(13-17)22-20(15-24)19-11-10-18(29-3)14-21(19)27(22)5-2;1-3-27-20-13-17(29-2)8-9-18(20)19(14-24)21(27)15-6-4-7-16(12-15)26-22(28)25-11-5-10-23;1-5-26-20-12-17(28-4)9-10-18(20)19(13-23)21(26)15-7-6-8-16(11-15)25-22(27)24-14(2)3;2*1-4-11-24-22(27)25-16-8-6-7-15(12-16)21-19(14-23)18-10-9-17(28-3)13-20(18)26(21)5-2;1-3-26-19-12-16(28-2)7-8-17(19)18(13-23)20(26)14-5-4-6-15(11-14)25-21(27)24-10-9-22;1-3-22-17-9-6-13(19)10-15(17)16(11-20)18(22)12-4-7-14(8-5-12)21-25(2,23)24;1-2-21-16-8-5-12(18)9-14(16)15(10-19)17(21)11-3-6-13(20)7-4-11/h6-15H,5H2,1-4H3,(H,29,31);4-14H,3H2,1-2H3,(H,27,30);7-11,13-14H,4-6,12H2,1-3H3,(H2,25,26,28);4,6-9,12-13H,3,5,10-11H2,1-2H3,(H2,25,26,28);6-12,14H,5H2,1-4H3,(H2,24,25,27);6-10,12-13H,4-5,11H2,1-3H3,(H2,24,25,27);4,6-10,12-13H,1,5,11H2,2-3H3,(H2,24,25,27);4-8,11-12H,3,9-10H2,1-2H3,(H2,24,25,27);4-10,21H,3H2,1-2H3;3-9H,2,20H2,1H3
InChIKeyKQMOAEUEHVIYSL-UHFFFAOYSA-N
XLogP48.16
TPSA799.81 Ų
H-Bond Donors16
H-Bond Acceptors43
Rotatable Bonds56
Heavy Atoms283
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003891.24
LogP ≤ 548.16
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1043

Analyze 2-(4-aminophenyl)-5-chloro-1-ethylindole-3-carbonitrile;1-butyl-3-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]urea;N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]methanesulfonamide;1-(2-chloroethyl)-3-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]urea;1-(3-chloropropyl)-3-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]urea;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(3,4-dimethoxyphenyl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(4-nitrophenyl)benzamide;1-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-propan-2-ylurea;1-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-prop-2-enylurea;1-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-propylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-butyl-3-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]urea;N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]methanesulfonamide;3-chloro-N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]propane-1-sulfonamide;1-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-propan-2-ylurea;1-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-prop-2-enylurea;1-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-propylurea
CID 160211074
2-(4-aminophenyl)-5-chloro-1-ethylindole-3-carbonitrile;N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]methanesulfonamide;1-(2-chloroethyl)-3-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]urea;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(3,4-dimethoxyphenyl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(4-nitrophenyl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-phenylbenzamide
CID 157389594
2-(4-aminophenyl)-5-chloro-1-ethylindole-3-carbonitrile;N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]methanesulfonamide;1-(2-chloroethyl)-3-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]urea;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(3,4-dimethoxyphenyl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(4-nitrophenyl)benzamide
CID 157770900
2-(4-aminophenyl)-5-chloro-1-ethylindole-3-carbonitrile;N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]methanesulfonamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(3,4-dimethoxyphenyl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(4-nitrophenyl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-phenylbenzamide
CID 158014032
2-(4-aminophenyl)-5-chloro-1-ethylindole-3-carbonitrile;N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]methanesulfonamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(3,4-dimethoxyphenyl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(4-nitrophenyl)benzamide
CID 159354195
2-(4-aminophenyl)-5-chloro-1-ethylindole-3-carbonitrile;N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]methanesulfonamide;1-(2-chloroethyl)-3-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]urea;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(3,4-dimethoxyphenyl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(4-nitrophenyl)benzamide;1-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-propylurea
CID 159479667
N-(4-chlorophenyl)-4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-ethylbenzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(4-methylphenyl)benzamide;N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-2-methylpropanamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-propan-2-ylbenzamide
CID 160176881
3-chloro-N-[3-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]propane-1-sulfonamide;bis(1-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]-3-propylurea);N-[4-[5-chloro-3-cyano-1-(3-methylbutyl)indol-2-yl]phenyl]ethanesulfonamide;N-[4-[5-chloro-3-cyano-1-(3-methylbutyl)indol-2-yl]phenyl]methanesulfonamide;1-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]-3-ethylurea
CID 161761080
1-butyl-3-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]urea;N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]methanesulfonamide;1-(2-chloroethyl)-3-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]urea;1-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-propan-2-ylurea;1-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-prop-2-enylurea;1-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-propylurea
CID 161979516
2-(4-aminophenyl)-5-chloro-1-ethylindole-3-carbonitrile;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(3,4-dimethoxyphenyl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(3-morpholin-4-ylpropyl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(4-nitrophenyl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-phenylbenzamide
CID 162043808

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-5-chloro-1-ethylindole-3-carbonitrile;1-butyl-3-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]urea;N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]methanesulfonamide;1-(2-chloroethyl)-3-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]urea;1-(3-chloropropyl)-3-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]urea;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(3,4-dimethoxyphenyl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(4-nitrophenyl)benzamide;1-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-propan-2-ylurea;1-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-prop-2-enylurea;1-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-propylurea?
The IUPAC name of 2-(4-aminophenyl)-5-chloro-1-ethylindole-3-carbonitrile;1-butyl-3-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]urea;N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]methanesulfonamide;1-(2-chloroethyl)-3-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]urea;1-(3-chloropropyl)-3-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]urea;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(3,4-dimethoxyphenyl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(4-nitrophenyl)benzamide;1-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-propan-2-ylurea;1-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-prop-2-enylurea;1-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-propylurea (CID 159587847) is 2-(4-aminophenyl)-5-chloro-1-ethylindole-3-carbonitrile;1-butyl-3-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]urea;N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]methanesulfonamide;1-(2-chloroethyl)-3-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]urea;1-(3-chloropropyl)-3-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]urea;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(3,4-dimethoxyphenyl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(4-nitrophenyl)benzamide;1-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-propan-2-ylurea;1-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-prop-2-enylurea;1-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-propylurea.
What is the SMILES notation for 2-(4-aminophenyl)-5-chloro-1-ethylindole-3-carbonitrile;1-butyl-3-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]urea;N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]methanesulfonamide;1-(2-chloroethyl)-3-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]urea;1-(3-chloropropyl)-3-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]urea;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(3,4-dimethoxyphenyl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(4-nitrophenyl)benzamide;1-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-propan-2-ylurea;1-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-prop-2-enylurea;1-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-propylurea?
The canonical SMILES for 2-(4-aminophenyl)-5-chloro-1-ethylindole-3-carbonitrile;1-butyl-3-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]urea;N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]methanesulfonamide;1-(2-chloroethyl)-3-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]urea;1-(3-chloropropyl)-3-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]urea;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(3,4-dimethoxyphenyl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(4-nitrophenyl)benzamide;1-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-propan-2-ylurea;1-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-prop-2-enylurea;1-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-propylurea is C=CCNC(=O)Nc1cccc(-c2c(C#N)c3ccc(OC)cc3n2CC)c1.CCCCNC(=O)Nc1cccc(-c2c(C#N)c3ccc(OC)cc3n2CC)c1.CCCNC(=O)Nc1cccc(-c2c(C#N)c3ccc(OC)cc3n2CC)c1.CCn1c(-c2ccc(C(=O)Nc3ccc(OC)c(OC)c3)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(C(=O)Nc3ccc([N+](=O)[O-])cc3)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(N)cc2)c(C#N)c2cc(Cl)ccc21.CCn1c(-c2ccc(NS(C)(=O)=O)cc2)c(C#N)c2cc(Cl)ccc21.CCn1c(-c2cccc(NC(=O)NC(C)C)c2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2cccc(NC(=O)NCCCCl)c2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2cccc(NC(=O)NCCCl)c2)c(C#N)c2ccc(OC)cc21.
What is the InChIKey of 2-(4-aminophenyl)-5-chloro-1-ethylindole-3-carbonitrile;1-butyl-3-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]urea;N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]methanesulfonamide;1-(2-chloroethyl)-3-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]urea;1-(3-chloropropyl)-3-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]urea;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(3,4-dimethoxyphenyl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(4-nitrophenyl)benzamide;1-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-propan-2-ylurea;1-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-prop-2-enylurea;1-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-propylurea?
The InChIKey is KQMOAEUEHVIYSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O4.C25H20N4O4.C23H26N4O2.C22H23ClN4O2.2C22H24N4O2.C22H22N4O2.C21H21ClN4O2.C18H16ClN3O2S.C17H14ClN3/c1-5-30-23-15-20(32-2)11-12-21(23)22(16-28)26(30)17-6-8-18(9-7-17)27(31)29-19-10-13-24(33-3)25(14-19)34-4;1-3-28-23-14-20(33-2)12-13-21(23)22(15-26)24(28)16-4-6-17(7-5-16)25(30)27-18-8-10-19(11-9-18)29(31)32;1-4-6-12-25-23(28)26-17-9-7-8-16(13-17)22-20(15-24)19-11-10-18(29-3)14-21(19)27(22)5-2;1-3-27-20-13-17(29-2)8-9-18(20)19(14-24)21(27)15-6-4-7-16(12-15)26-22(28)25-11-5-10-23;1-5-26-20-12-17(28-4)9-10-18(20)19(13-23)21(26)15-7-6-8-16(11-15)25-22(27)24-14(2)3;2*1-4-11-24-22(27)25-16-8-6-7-15(12-16)21-19(14-23)18-10-9-17(28-3)13-20(18)26(21)5-2;1-3-26-19-12-16(28-2)7-8-17(19)18(13-23)20(26)14-5-4-6-15(11-14)25-21(27)24-10-9-22;1-3-22-17-9-6-13(19)10-15(17)16(11-20)18(22)12-4-7-14(8-5-12)21-25(2,23)24;1-2-21-16-8-5-12(18)9-14(16)15(10-19)17(21)11-3-6-13(20)7-4-11/h6-15H,5H2,1-4H3,(H,29,31);4-14H,3H2,1-2H3,(H,27,30);7-11,13-14H,4-6,12H2,1-3H3,(H2,25,26,28);4,6-9,12-13H,3,5,10-11H2,1-2H3,(H2,25,26,28);6-12,14H,5H2,1-4H3,(H2,24,25,27);6-10,12-13H,4-5,11H2,1-3H3,(H2,24,25,27);4,6-10,12-13H,1,5,11H2,2-3H3,(H2,24,25,27);4-8,11-12H,3,9-10H2,1-2H3,(H2,24,25,27);4-10,21H,3H2,1-2H3;3-9H,2,20H2,1H3.
What are the key properties of 2-(4-aminophenyl)-5-chloro-1-ethylindole-3-carbonitrile;1-butyl-3-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]urea;N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]methanesulfonamide;1-(2-chloroethyl)-3-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]urea;1-(3-chloropropyl)-3-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]urea;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(3,4-dimethoxyphenyl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(4-nitrophenyl)benzamide;1-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-propan-2-ylurea;1-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-prop-2-enylurea;1-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-propylurea?
2-(4-aminophenyl)-5-chloro-1-ethylindole-3-carbonitrile;1-butyl-3-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]urea;N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]methanesulfonamide;1-(2-chloroethyl)-3-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]urea;1-(3-chloropropyl)-3-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]urea;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(3,4-dimethoxyphenyl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(4-nitrophenyl)benzamide;1-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-propan-2-ylurea;1-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-prop-2-enylurea;1-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-propylurea has a molecular weight of 3891.24 g/mol, XLogP of 48.16, 56 rotatable bonds, 16 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-5-chloro-1-ethylindole-3-carbonitrile;1-butyl-3-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]urea;N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]methanesulfonamide;1-(2-chloroethyl)-3-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]urea;1-(3-chloropropyl)-3-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]urea;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(3,4-dimethoxyphenyl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(4-nitrophenyl)benzamide;1-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-propan-2-ylurea;1-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-prop-2-enylurea;1-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-propylurea is sourced from PubChem (CID 159587847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).