1-[4-(3-chloro-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-3-cyclobutylurea;1-[4-[3-chloro-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]-3-cyclobutylurea;N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]cyclopropanesulfonamide;1-cyclobutyl-3-[4-(1-cyclobutyl-6-ethoxy-3-iodoindol-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-3-iodo-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea

C161H177Cl2F3I2N18O16S — CID 158347373

About 1-[4-(3-chloro-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-3-cyclobutylurea;1-[4-[3-chloro-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]-3-cyclobutylurea;N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]cyclopropanesulfonamide;1-cyclobutyl-3-[4-(1-cyclobutyl-6-ethoxy-3-iodoindol-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-3-iodo-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea

1-[4-(3-chloro-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-3-cyclobutylurea;1-[4-[3-chloro-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]-3-cyclobutylurea;N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]cyclopropanesulfonamide;1-cyclobutyl-3-[4-(1-cyclobutyl-6-ethoxy-3-iodoindol-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-3-iodo-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea (PubChem CID 158347373) has the molecular formula C161H177Cl2F3I2N18O16S and a molecular weight of 3034.07 g/mol. Its IUPAC name is 1-[4-(3-chloro-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-3-cyclobutylurea;1-[4-[3-chloro-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]-3-cyclobutylurea;N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]cyclopropanesulfonamide;1-cyclobutyl-3-[4-(1-cyclobutyl-6-ethoxy-3-iodoindol-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-3-iodo-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea.

Molecular Properties

• Compound Name: 1-[4-(3-chloro-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-3-cyclobutylurea;1-[4-[3-chloro-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]-3-cyclobutylurea;N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]cyclopropanesulfonamide;1-cyclobutyl-3-[4-(1-cyclobutyl-6-ethoxy-3-iodoindol-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-3-iodo-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea
• PubChem CID: 158347373
• Molecular Formula: C161H177Cl2F3I2N18O16S
• Molecular Weight: 3034.07 g/mol
• Exact Mass: 3031.07
• IUPAC Name: 1-[4-(3-chloro-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-3-cyclobutylurea;1-[4-[3-chloro-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]-3-cyclobutylurea;N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]cyclopropanesulfonamide;1-cyclobutyl-3-[4-(1-cyclobutyl-6-ethoxy-3-iodoindol-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-3-iodo-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea
• SMILES: CCOc1ccc2c(C#CC(F)(F)F)c(-c3ccc(NC(=O)NC4CCC4)cc3)n(C3CCC3)c2c1.CCOc1ccc2c(Cl)c(-c3ccc(NC(=O)NC4CCC4)cc3)n(C3CCC3)c2c1.CCOc1ccc2c(I)c(-c3ccc(NC(=O)NC4CCC4)cc3)n(C3CCC3)c2c1.N#Cc1c(-c2ccc(NS(=O)(=O)C3CC3)cc2)n(CC2CC2)c2cc(OC3CCOCC3)ccc12.O=C(Nc1ccc(-c2c(Cl)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1)NC1CCC1.O=C(Nc1ccc(-c2c(I)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1)NC1CCC1
• InChI: InChI=1S/C28H32ClN3O3.C28H28F3N3O2.C28H32IN3O3.C27H29N3O4S.C25H28ClN3O2.C25H28IN3O2/c29-26-24-12-11-23(35-22-13-15-34-16-14-22)17-25(24)32(21-5-2-6-21)27(26)18-7-9-20(10-8-18)31-28(33)30-19-3-1-4-19;1-2-36-22-13-14-23-24(15-16-28(29,30)31)26(34(25(23)17-22)21-7-4-8-21)18-9-11-20(12-10-18)33-27(35)32-19-5-3-6-19;29-26-24-12-11-23(35-22-13-15-34-16-14-22)17-25(24)32(21-5-2-6-21)27(26)18-7-9-20(10-8-18)31-28(33)30-19-3-1-4-19;28-16-25-24-10-7-22(34-21-11-13-33-14-12-21)15-26(24)30(17-18-1-2-18)27(25)19-3-5-20(6-4-19)29-35(31,32)23-8-9-23;2*1-2-31-20-13-14-21-22(15-20)29(19-7-4-8-19)24(23(21)26)16-9-11-18(12-10-16)28-25(30)27-17-5-3-6-17/h7-12,17,19,21-22H,1-6,13-16H2,(H2,30,31,33);9-14,17,19,21H,2-8H2,1H3,(H2,32,33,35);7-12,17,19,21-22H,1-6,13-16H2,(H2,30,31,33);3-7,10,15,18,21,23,29H,1-2,8-9,11-14,17H2;2*9-15,17,19H,2-8H2,1H3,(H2,27,28,30)
• InChIKey: GRWYLVDNIKMYJN-UHFFFAOYSA-N
• XLogP: 39.33
• TPSA: 388.26 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 23
• Rotatable Bonds: 38
• Heavy Atoms: 203
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3034.07
LogP ≤ 5	39.33
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-chloro-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-3-cyclobutylurea;1-[4-[3-chloro-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]-3-cyclobutylurea;N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]cyclopropanesulfonamide;1-cyclobutyl-3-[4-(1-cyclobutyl-6-ethoxy-3-iodoindol-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-3-iodo-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea?

The IUPAC name of 1-[4-(3-chloro-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-3-cyclobutylurea;1-[4-[3-chloro-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]-3-cyclobutylurea;N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]cyclopropanesulfonamide;1-cyclobutyl-3-[4-(1-cyclobutyl-6-ethoxy-3-iodoindol-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-3-iodo-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea (CID 158347373) is 1-[4-(3-chloro-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-3-cyclobutylurea;1-[4-[3-chloro-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]-3-cyclobutylurea;N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]cyclopropanesulfonamide;1-cyclobutyl-3-[4-(1-cyclobutyl-6-ethoxy-3-iodoindol-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-3-iodo-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea.

What is the SMILES notation for 1-[4-(3-chloro-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-3-cyclobutylurea;1-[4-[3-chloro-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]-3-cyclobutylurea;N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]cyclopropanesulfonamide;1-cyclobutyl-3-[4-(1-cyclobutyl-6-ethoxy-3-iodoindol-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-3-iodo-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea?

The canonical SMILES for 1-[4-(3-chloro-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-3-cyclobutylurea;1-[4-[3-chloro-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]-3-cyclobutylurea;N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]cyclopropanesulfonamide;1-cyclobutyl-3-[4-(1-cyclobutyl-6-ethoxy-3-iodoindol-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-3-iodo-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea is CCOc1ccc2c(C#CC(F)(F)F)c(-c3ccc(NC(=O)NC4CCC4)cc3)n(C3CCC3)c2c1.CCOc1ccc2c(Cl)c(-c3ccc(NC(=O)NC4CCC4)cc3)n(C3CCC3)c2c1.CCOc1ccc2c(I)c(-c3ccc(NC(=O)NC4CCC4)cc3)n(C3CCC3)c2c1.N#Cc1c(-c2ccc(NS(=O)(=O)C3CC3)cc2)n(CC2CC2)c2cc(OC3CCOCC3)ccc12.O=C(Nc1ccc(-c2c(Cl)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1)NC1CCC1.O=C(Nc1ccc(-c2c(I)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1)NC1CCC1.

What is the InChIKey of 1-[4-(3-chloro-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-3-cyclobutylurea;1-[4-[3-chloro-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]-3-cyclobutylurea;N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]cyclopropanesulfonamide;1-cyclobutyl-3-[4-(1-cyclobutyl-6-ethoxy-3-iodoindol-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-3-iodo-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea?

The InChIKey is GRWYLVDNIKMYJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32ClN3O3.C28H28F3N3O2.C28H32IN3O3.C27H29N3O4S.C25H28ClN3O2.C25H28IN3O2/c29-26-24-12-11-23(35-22-13-15-34-16-14-22)17-25(24)32(21-5-2-6-21)27(26)18-7-9-20(10-8-18)31-28(33)30-19-3-1-4-19;1-2-36-22-13-14-23-24(15-16-28(29,30)31)26(34(25(23)17-22)21-7-4-8-21)18-9-11-20(12-10-18)33-27(35)32-19-5-3-6-19;29-26-24-12-11-23(35-22-13-15-34-16-14-22)17-25(24)32(21-5-2-6-21)27(26)18-7-9-20(10-8-18)31-28(33)30-19-3-1-4-19;28-16-25-24-10-7-22(34-21-11-13-33-14-12-21)15-26(24)30(17-18-1-2-18)27(25)19-3-5-20(6-4-19)29-35(31,32)23-8-9-23;2*1-2-31-20-13-14-21-22(15-20)29(19-7-4-8-19)24(23(21)26)16-9-11-18(12-10-16)28-25(30)27-17-5-3-6-17/h7-12,17,19,21-22H,1-6,13-16H2,(H2,30,31,33);9-14,17,19,21H,2-8H2,1H3,(H2,32,33,35);7-12,17,19,21-22H,1-6,13-16H2,(H2,30,31,33);3-7,10,15,18,21,23,29H,1-2,8-9,11-14,17H2;2*9-15,17,19H,2-8H2,1H3,(H2,27,28,30).

What are the key properties of 1-[4-(3-chloro-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-3-cyclobutylurea;1-[4-[3-chloro-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]-3-cyclobutylurea;N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]cyclopropanesulfonamide;1-cyclobutyl-3-[4-(1-cyclobutyl-6-ethoxy-3-iodoindol-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-3-iodo-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea?

1-[4-(3-chloro-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-3-cyclobutylurea;1-[4-[3-chloro-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]-3-cyclobutylurea;N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]cyclopropanesulfonamide;1-cyclobutyl-3-[4-(1-cyclobutyl-6-ethoxy-3-iodoindol-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-3-iodo-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea has a molecular weight of 3034.07 g/mol, XLogP of 39.33, 38 rotatable bonds, 11 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(3-chloro-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-3-cyclobutylurea;1-[4-[3-chloro-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]-3-cyclobutylurea;N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]cyclopropanesulfonamide;1-cyclobutyl-3-[4-(1-cyclobutyl-6-ethoxy-3-iodoindol-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-3-iodo-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea is sourced from PubChem (CID 158347373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).