1-[4-[3-(4-chlorophenyl)-1-cyclobutyl-6-ethoxyindol-2-yl]phenyl]-3-cyclobutylurea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-(4-fluorophenyl)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(4-fluorophenyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-[4-(trifluoromethyl)phenyl]indol-2-yl]phenyl]urea

C131H136ClF5N12O10 — CID 158566304

IUPAC1-[4-[3-(4-chlorophenyl)-1-cyclobutyl-6-ethoxyindol-2-yl]phenyl]-3-cyclobutylurea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-(4-fluorophenyl)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(4-fluorophenyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-[4-(trifluoromethyl)phenyl]indol-2-yl]phenyl]urea
SMILESCCOc1ccc2c(-c3ccc(Cl)cc3)c(-c3ccc(NC(=O)NC4CCC4)cc3)n(C3CCC3)c2c1.CCOc1ccc2c(-c3ccc(F)cc3)c(-c3ccc(NC(=O)NC4CCC4)cc3)n(C3CCC3)c2c1.O=C(Nc1ccc(-c2c(-c3ccc(C(F)(F)F)cc3)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1)NC1CCC1.O=C(Nc1ccc(-c2c(-c3ccc(F)cc3)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1)NC1CCC1
InChIInChI=1S/C35H36F3N3O3.C34H36FN3O3.C31H32ClN3O2.C31H32FN3O2/c36-35(37,38)24-11-7-22(8-12-24)32-30-16-15-29(44-28-17-19-43-20-18-28)21-31(30)41(27-5-2-6-27)33(32)23-9-13-26(14-10-23)40-34(42)39-25-3-1-4-25;35-24-11-7-22(8-12-24)32-30-16-15-29(41-28-17-19-40-20-18-28)21-31(30)38(27-5-2-6-27)33(32)23-9-13-26(14-10-23)37-34(39)36-25-3-1-4-25;2*1-2-37-26-17-18-27-28(19-26)35(25-7-4-8-25)30(29(27)20-9-13-22(32)14-10-20)21-11-15-24(16-12-21)34-31(36)33-23-5-3-6-23/h7-16,21,25,27-28H,1-6,17-20H2,(H2,39,40,42);7-16,21,25,27-28H,1-6,17-20H2,(H2,36,37,39);2*9-19,23,25H,2-8H2,1H3,(H2,33,34,36)
InChIKeyHRNCAINYTVJUGX-UHFFFAOYSA-N
MW2169.05 g/mol
LogP33.36
Rot. Bonds28

About 1-[4-[3-(4-chlorophenyl)-1-cyclobutyl-6-ethoxyindol-2-yl]phenyl]-3-cyclobutylurea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-(4-fluorophenyl)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(4-fluorophenyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-[4-(trifluoromethyl)phenyl]indol-2-yl]phenyl]urea

1-[4-[3-(4-chlorophenyl)-1-cyclobutyl-6-ethoxyindol-2-yl]phenyl]-3-cyclobutylurea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-(4-fluorophenyl)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(4-fluorophenyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-[4-(trifluoromethyl)phenyl]indol-2-yl]phenyl]urea (PubChem CID 158566304) has the molecular formula C131H136ClF5N12O10 and a molecular weight of 2169.05 g/mol. Its IUPAC name is 1-[4-[3-(4-chlorophenyl)-1-cyclobutyl-6-ethoxyindol-2-yl]phenyl]-3-cyclobutylurea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-(4-fluorophenyl)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(4-fluorophenyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-[4-(trifluoromethyl)phenyl]indol-2-yl]phenyl]urea.

Molecular Properties

Compound Name1-[4-[3-(4-chlorophenyl)-1-cyclobutyl-6-ethoxyindol-2-yl]phenyl]-3-cyclobutylurea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-(4-fluorophenyl)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(4-fluorophenyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-[4-(trifluoromethyl)phenyl]indol-2-yl]phenyl]urea
PubChem CID158566304
Molecular FormulaC131H136ClF5N12O10
Molecular Weight2169.05 g/mol
Exact Mass2167.01
IUPAC Name1-[4-[3-(4-chlorophenyl)-1-cyclobutyl-6-ethoxyindol-2-yl]phenyl]-3-cyclobutylurea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-(4-fluorophenyl)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(4-fluorophenyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-[4-(trifluoromethyl)phenyl]indol-2-yl]phenyl]urea
SMILESCCOc1ccc2c(-c3ccc(Cl)cc3)c(-c3ccc(NC(=O)NC4CCC4)cc3)n(C3CCC3)c2c1.CCOc1ccc2c(-c3ccc(F)cc3)c(-c3ccc(NC(=O)NC4CCC4)cc3)n(C3CCC3)c2c1.O=C(Nc1ccc(-c2c(-c3ccc(C(F)(F)F)cc3)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1)NC1CCC1.O=C(Nc1ccc(-c2c(-c3ccc(F)cc3)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1)NC1CCC1
InChIInChI=1S/C35H36F3N3O3.C34H36FN3O3.C31H32ClN3O2.C31H32FN3O2/c36-35(37,38)24-11-7-22(8-12-24)32-30-16-15-29(44-28-17-19-43-20-18-28)21-31(30)41(27-5-2-6-27)33(32)23-9-13-26(14-10-23)40-34(42)39-25-3-1-4-25;35-24-11-7-22(8-12-24)32-30-16-15-29(41-28-17-19-40-20-18-28)21-31(30)38(27-5-2-6-27)33(32)23-9-13-26(14-10-23)37-34(39)36-25-3-1-4-25;2*1-2-37-26-17-18-27-28(19-26)35(25-7-4-8-25)30(29(27)20-9-13-22(32)14-10-20)21-11-15-24(16-12-21)34-31(36)33-23-5-3-6-23/h7-16,21,25,27-28H,1-6,17-20H2,(H2,39,40,42);7-16,21,25,27-28H,1-6,17-20H2,(H2,36,37,39);2*9-19,23,25H,2-8H2,1H3,(H2,33,34,36)
InChIKeyHRNCAINYTVJUGX-UHFFFAOYSA-N
XLogP33.36
TPSA239.62 Ų
H-Bond Donors8
H-Bond Acceptors14
Rotatable Bonds28
Heavy Atoms159
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002169.05
LogP ≤ 533.36
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1014

Analyze 1-[4-[3-(4-chlorophenyl)-1-cyclobutyl-6-ethoxyindol-2-yl]phenyl]-3-cyclobutylurea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-(4-fluorophenyl)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(4-fluorophenyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-[4-(trifluoromethyl)phenyl]indol-2-yl]phenyl]urea with MolForge

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Related Compounds

1-Cyclobutyl-3-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-[4-(trifluoromethyl)phenyl]indol-2-yl]phenyl]urea
CID 59425541
1-cyclopropylethyl N-[4-(3-chloro-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;1-cyclopropylethyl N-[4-[3-chloro-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-(1-cyclobutyl-6-ethoxy-3-iodoindol-2-yl)phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-6-ethoxy-3-(3,3,3-trifluoroprop-1-ynyl)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-iodo-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(3,3,3-trifluoroprop-1-ynyl)indol-2-yl]phenyl]carbamate
CID 157389681
1-cyclopropylethyl N-[4-(3-chloro-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;1-cyclopropylethyl N-[4-[3-chloro-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(2-cyclopropylethynyl)-6-ethoxyindol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-6-ethoxy-3-(3,3,3-trifluoroprop-1-ynyl)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-iodo-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(3,3,3-trifluoroprop-1-ynyl)indol-2-yl]phenyl]carbamate
CID 158030451
1-[4-[3-(2-Cyanoethynyl)-1-cyclobutyl-6-ethoxyindol-2-yl]phenyl]-3-cyclobutylurea;1-[4-[3-(2-cyanoethynyl)-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]-3-cyclobutylurea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(2-cyclopropylethynyl)-6-ethoxyindol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(2-cyclopropylethynyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-(trifluoromethyl)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(3,3,3-trifluoroprop-1-ynyl)indol-2-yl]phenyl]urea
CID 158589880
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-butyl-3-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]urea;N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]acetamide;N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]cyclopropanecarboxamide;N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]propanamide;1-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]-3-ethylurea;1-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]-3-propylurea
CID 159471937
sodium;2-(4-aminophenyl)-1-cyclobutyl-6-ethoxyindole-3-carbonitrile;N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-N-ethyl-2,2,2-trifluoroacetamide;bis(1-cyclobutyl-6-ethoxy-2-[4-(ethylamino)phenyl]indole-3-carbonitrile);dichloromethane;hydride;1,1,1-trifluoropropan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate
CID 159529508
1-cyclopropylethyl N-[4-[3-chloro-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-(2-cyanoethynyl)-1-cyclobutyl-6-ethoxyindol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-(2-cyanoethynyl)-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(2-cyclopropylethynyl)-6-ethoxyindol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(2-cyclopropylethynyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-6-ethoxy-3-(trifluoromethyl)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-6-ethoxy-3-(3,3,3-trifluoroprop-1-ynyl)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(3,3,3-trifluoroprop-1-ynyl)indol-2-yl]phenyl]carbamate
CID 159533819
sodium;2-(4-aminophenyl)-1-cyclobutyl-6-ethoxyindole-3-carbonitrile;N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-N-ethyl-2,2,2-trifluoroacetamide;N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-2,2,2-trifluoroacetamide;bis(1-cyclobutyl-6-ethoxy-2-[4-(ethylamino)phenyl]indole-3-carbonitrile);dichloromethane;hydride;methane
CID 159639072
1-[4-[3-Chloro-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]-3-cyclobutylurea;1-[4-[3-(2-cyanoethynyl)-1-cyclobutyl-6-ethoxyindol-2-yl]phenyl]-3-cyclobutylurea;1-[4-[3-(2-cyanoethynyl)-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]-3-cyclobutylurea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(2-cyclopropylethynyl)-6-ethoxyindol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(2-cyclopropylethynyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-(trifluoromethyl)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-(3,3,3-trifluoroprop-1-ynyl)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(3,3,3-trifluoroprop-1-ynyl)indol-2-yl]phenyl]urea
CID 160537771
1-[4-[3-cyano-1-cyclopropyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]-3-[1-(4-fluorophenyl)ethyl]urea;1-cyclopropylethyl N-[4-[3-cyano-1-cyclopropyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;3,3-dimethylbutan-2-yl N-[4-[3-cyano-1-cyclopropyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-(4-fluorophenyl)ethyl N-[4-[3-cyano-1-cyclopropyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-[4-(trifluoromethyl)phenyl]ethyl N-[4-[3-cyano-1-cyclopropyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;(2,2,2-trifluoro-1-phenylethyl) N-[4-[3-cyano-1-cyclopropyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1,1,1-trifluoropropan-2-yl N-[4-[3-cyano-1-cyclopropyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate
CID 160830560
1-butyl-3-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]urea;N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]acetamide;N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]cyclobutanecarboxamide;N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]cyclopropanecarboxamide;N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]-2-methylpropanamide;N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]propanamide
CID 161600851

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(4-chlorophenyl)-1-cyclobutyl-6-ethoxyindol-2-yl]phenyl]-3-cyclobutylurea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-(4-fluorophenyl)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(4-fluorophenyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-[4-(trifluoromethyl)phenyl]indol-2-yl]phenyl]urea?
The IUPAC name of 1-[4-[3-(4-chlorophenyl)-1-cyclobutyl-6-ethoxyindol-2-yl]phenyl]-3-cyclobutylurea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-(4-fluorophenyl)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(4-fluorophenyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-[4-(trifluoromethyl)phenyl]indol-2-yl]phenyl]urea (CID 158566304) is 1-[4-[3-(4-chlorophenyl)-1-cyclobutyl-6-ethoxyindol-2-yl]phenyl]-3-cyclobutylurea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-(4-fluorophenyl)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(4-fluorophenyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-[4-(trifluoromethyl)phenyl]indol-2-yl]phenyl]urea.
What is the SMILES notation for 1-[4-[3-(4-chlorophenyl)-1-cyclobutyl-6-ethoxyindol-2-yl]phenyl]-3-cyclobutylurea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-(4-fluorophenyl)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(4-fluorophenyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-[4-(trifluoromethyl)phenyl]indol-2-yl]phenyl]urea?
The canonical SMILES for 1-[4-[3-(4-chlorophenyl)-1-cyclobutyl-6-ethoxyindol-2-yl]phenyl]-3-cyclobutylurea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-(4-fluorophenyl)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(4-fluorophenyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-[4-(trifluoromethyl)phenyl]indol-2-yl]phenyl]urea is CCOc1ccc2c(-c3ccc(Cl)cc3)c(-c3ccc(NC(=O)NC4CCC4)cc3)n(C3CCC3)c2c1.CCOc1ccc2c(-c3ccc(F)cc3)c(-c3ccc(NC(=O)NC4CCC4)cc3)n(C3CCC3)c2c1.O=C(Nc1ccc(-c2c(-c3ccc(C(F)(F)F)cc3)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1)NC1CCC1.O=C(Nc1ccc(-c2c(-c3ccc(F)cc3)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1)NC1CCC1.
What is the InChIKey of 1-[4-[3-(4-chlorophenyl)-1-cyclobutyl-6-ethoxyindol-2-yl]phenyl]-3-cyclobutylurea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-(4-fluorophenyl)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(4-fluorophenyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-[4-(trifluoromethyl)phenyl]indol-2-yl]phenyl]urea?
The InChIKey is HRNCAINYTVJUGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H36F3N3O3.C34H36FN3O3.C31H32ClN3O2.C31H32FN3O2/c36-35(37,38)24-11-7-22(8-12-24)32-30-16-15-29(44-28-17-19-43-20-18-28)21-31(30)41(27-5-2-6-27)33(32)23-9-13-26(14-10-23)40-34(42)39-25-3-1-4-25;35-24-11-7-22(8-12-24)32-30-16-15-29(41-28-17-19-40-20-18-28)21-31(30)38(27-5-2-6-27)33(32)23-9-13-26(14-10-23)37-34(39)36-25-3-1-4-25;2*1-2-37-26-17-18-27-28(19-26)35(25-7-4-8-25)30(29(27)20-9-13-22(32)14-10-20)21-11-15-24(16-12-21)34-31(36)33-23-5-3-6-23/h7-16,21,25,27-28H,1-6,17-20H2,(H2,39,40,42);7-16,21,25,27-28H,1-6,17-20H2,(H2,36,37,39);2*9-19,23,25H,2-8H2,1H3,(H2,33,34,36).
What are the key properties of 1-[4-[3-(4-chlorophenyl)-1-cyclobutyl-6-ethoxyindol-2-yl]phenyl]-3-cyclobutylurea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-(4-fluorophenyl)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(4-fluorophenyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-[4-(trifluoromethyl)phenyl]indol-2-yl]phenyl]urea?
1-[4-[3-(4-chlorophenyl)-1-cyclobutyl-6-ethoxyindol-2-yl]phenyl]-3-cyclobutylurea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-(4-fluorophenyl)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(4-fluorophenyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-[4-(trifluoromethyl)phenyl]indol-2-yl]phenyl]urea has a molecular weight of 2169.05 g/mol, XLogP of 33.36, 28 rotatable bonds, 8 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(4-chlorophenyl)-1-cyclobutyl-6-ethoxyindol-2-yl]phenyl]-3-cyclobutylurea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-(4-fluorophenyl)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(4-fluorophenyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-[4-(trifluoromethyl)phenyl]indol-2-yl]phenyl]urea is sourced from PubChem (CID 158566304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).