bis(1-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]-3-propylurea);1-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]-3-ethylurea;ethyl N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]carbamate

C109H114Cl2N18O10 — CID 158501795

IUPACbis(1-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]-3-propylurea);1-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]-3-ethylurea;ethyl N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]carbamate
SMILESCCCNC(=O)Nc1ccc(-c2c(C#N)c3cc(Cl)ccc3n2CC)cc1.CCCNC(=O)Nc1ccc(-c2c(C#N)c3cc(Cl)ccc3n2CC)cc1.CCCOC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC)cc3n2CCC)cc1.CCCn1c(-c2ccc(NC(=O)NCC)cc2)c(C#N)c2ccc(OC)cc21.CCCn1c(-c2ccc(NC(=O)OCC)cc2)c(C#N)c2ccc(OC)cc21
InChIInChI=1S/C23H25N3O3.C22H24N4O2.C22H23N3O3.2C21H21ClN4O/c1-4-12-26-21-14-18(28-3)10-11-19(21)20(15-24)22(26)16-6-8-17(9-7-16)25-23(27)29-13-5-2;1-4-12-26-20-13-17(28-3)10-11-18(20)19(14-23)21(26)15-6-8-16(9-7-15)25-22(27)24-5-2;1-4-12-25-20-13-17(27-3)10-11-18(20)19(14-23)21(25)15-6-8-16(9-7-15)24-22(26)28-5-2;2*1-3-11-24-21(27)25-16-8-5-14(6-9-16)20-18(13-23)17-12-15(22)7-10-19(17)26(20)4-2/h6-11,14H,4-5,12-13H2,1-3H3,(H,25,27);6-11,13H,4-5,12H2,1-3H3,(H2,24,25,27);6-11,13H,4-5,12H2,1-3H3,(H,24,26);2*5-10,12H,3-4,11H2,1-2H3,(H2,24,25,27)
InChIKeyHJZFHWNGQHXMTD-UHFFFAOYSA-N
MW1907.13 g/mol
LogP26.23
Rot. Bonds29

About bis(1-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]-3-propylurea);1-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]-3-ethylurea;ethyl N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]carbamate

bis(1-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]-3-propylurea);1-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]-3-ethylurea;ethyl N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]carbamate (PubChem CID 158501795) has the molecular formula C109H114Cl2N18O10 and a molecular weight of 1907.13 g/mol. Its IUPAC name is bis(1-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]-3-propylurea);1-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]-3-ethylurea;ethyl N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]carbamate.

Molecular Properties

Compound Namebis(1-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]-3-propylurea);1-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]-3-ethylurea;ethyl N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]carbamate
PubChem CID158501795
Molecular FormulaC109H114Cl2N18O10
Molecular Weight1907.13 g/mol
Exact Mass1904.83
IUPAC Namebis(1-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]-3-propylurea);1-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]-3-ethylurea;ethyl N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]carbamate
SMILESCCCNC(=O)Nc1ccc(-c2c(C#N)c3cc(Cl)ccc3n2CC)cc1.CCCNC(=O)Nc1ccc(-c2c(C#N)c3cc(Cl)ccc3n2CC)cc1.CCCOC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC)cc3n2CCC)cc1.CCCn1c(-c2ccc(NC(=O)NCC)cc2)c(C#N)c2ccc(OC)cc21.CCCn1c(-c2ccc(NC(=O)OCC)cc2)c(C#N)c2ccc(OC)cc21
InChIInChI=1S/C23H25N3O3.C22H24N4O2.C22H23N3O3.2C21H21ClN4O/c1-4-12-26-21-14-18(28-3)10-11-19(21)20(15-24)22(26)16-6-8-17(9-7-16)25-23(27)29-13-5-2;1-4-12-26-20-13-17(28-3)10-11-18(20)19(14-23)21(26)15-6-8-16(9-7-15)25-22(27)24-5-2;1-4-12-25-20-13-17(27-3)10-11-18(20)19(14-23)21(25)15-6-8-16(9-7-15)24-22(26)28-5-2;2*1-3-11-24-21(27)25-16-8-5-14(6-9-16)20-18(13-23)17-12-15(22)7-10-19(17)26(20)4-2/h6-11,14H,4-5,12-13H2,1-3H3,(H,25,27);6-11,13H,4-5,12H2,1-3H3,(H2,24,25,27);6-11,13H,4-5,12H2,1-3H3,(H,24,26);2*5-10,12H,3-4,11H2,1-2H3,(H2,24,25,27)
InChIKeyHJZFHWNGQHXMTD-UHFFFAOYSA-N
XLogP26.23
TPSA371.34 Ų
H-Bond Donors8
H-Bond Acceptors20
Rotatable Bonds29
Heavy Atoms139
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001907.13
LogP ≤ 526.23
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1020

Analyze bis(1-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]-3-propylurea);1-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]-3-ethylurea;ethyl N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]carbamate with MolForge

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Related Compounds

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-propylurea;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]methanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]propane-1-sulfonamide
CID 157382502
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
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
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
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
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-(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
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-[[(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-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 bis(1-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]-3-propylurea);1-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]-3-ethylurea;ethyl N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]carbamate?
The IUPAC name of bis(1-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]-3-propylurea);1-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]-3-ethylurea;ethyl N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]carbamate (CID 158501795) is bis(1-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]-3-propylurea);1-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]-3-ethylurea;ethyl N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]carbamate.
What is the SMILES notation for bis(1-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]-3-propylurea);1-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]-3-ethylurea;ethyl N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]carbamate?
The canonical SMILES for bis(1-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]-3-propylurea);1-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]-3-ethylurea;ethyl N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]carbamate is CCCNC(=O)Nc1ccc(-c2c(C#N)c3cc(Cl)ccc3n2CC)cc1.CCCNC(=O)Nc1ccc(-c2c(C#N)c3cc(Cl)ccc3n2CC)cc1.CCCOC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC)cc3n2CCC)cc1.CCCn1c(-c2ccc(NC(=O)NCC)cc2)c(C#N)c2ccc(OC)cc21.CCCn1c(-c2ccc(NC(=O)OCC)cc2)c(C#N)c2ccc(OC)cc21.
What is the InChIKey of bis(1-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]-3-propylurea);1-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]-3-ethylurea;ethyl N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]carbamate?
The InChIKey is HJZFHWNGQHXMTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3.C22H24N4O2.C22H23N3O3.2C21H21ClN4O/c1-4-12-26-21-14-18(28-3)10-11-19(21)20(15-24)22(26)16-6-8-17(9-7-16)25-23(27)29-13-5-2;1-4-12-26-20-13-17(28-3)10-11-18(20)19(14-23)21(26)15-6-8-16(9-7-15)25-22(27)24-5-2;1-4-12-25-20-13-17(27-3)10-11-18(20)19(14-23)21(25)15-6-8-16(9-7-15)24-22(26)28-5-2;2*1-3-11-24-21(27)25-16-8-5-14(6-9-16)20-18(13-23)17-12-15(22)7-10-19(17)26(20)4-2/h6-11,14H,4-5,12-13H2,1-3H3,(H,25,27);6-11,13H,4-5,12H2,1-3H3,(H2,24,25,27);6-11,13H,4-5,12H2,1-3H3,(H,24,26);2*5-10,12H,3-4,11H2,1-2H3,(H2,24,25,27).
What are the key properties of bis(1-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]-3-propylurea);1-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]-3-ethylurea;ethyl N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]carbamate?
bis(1-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]-3-propylurea);1-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]-3-ethylurea;ethyl N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]carbamate has a molecular weight of 1907.13 g/mol, XLogP of 26.23, 29 rotatable bonds, 8 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]-3-propylurea);1-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]-3-ethylurea;ethyl N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]carbamate is sourced from PubChem (CID 158501795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).