(4-chlorophenyl) N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;2-fluoroethyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;(4-fluorophenyl) N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;(4-methylphenyl) N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate

C₁₂₆H₁₁₈ClF₂N₁₅O₁₅ — CID 159852540

About (4-chlorophenyl) N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;2-fluoroethyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;(4-fluorophenyl) N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;(4-methylphenyl) N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate

(4-chlorophenyl) N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;2-fluoroethyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;(4-fluorophenyl) N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;(4-methylphenyl) N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate (PubChem CID 159852540) has the molecular formula C₁₂₆H₁₁₈ClF₂N₁₅O₁₅ and a molecular weight of 2155.87 g/mol. Its IUPAC name is (4-chlorophenyl) N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;2-fluoroethyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;(4-fluorophenyl) N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;(4-methylphenyl) N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate.

Molecular Properties

• Compound Name: (4-chlorophenyl) N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;2-fluoroethyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;(4-fluorophenyl) N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;(4-methylphenyl) N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate
• PubChem CID: 159852540
• Molecular Formula: C₁₂₆H₁₁₈ClF₂N₁₅O₁₅
• Molecular Weight: 2155.87 g/mol
• Exact Mass: 2153.86
• IUPAC Name: (4-chlorophenyl) N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;2-fluoroethyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;(4-fluorophenyl) N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;(4-methylphenyl) N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate
• SMILES: CCn1c(-c2ccc(NC(=O)OCCF)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(NC(=O)O[C@H]3C[C@H](C)CC[C@H]3C(C)C)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(NC(=O)Oc3ccc(C)cc3)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(NC(=O)Oc3ccc(Cl)cc3)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(NC(=O)Oc3ccc(F)cc3)cc2)c(C#N)c2ccc(OC)cc21
• InChI: InChI=1S/C29H35N3O3.C26H23N3O3.C25H20ClN3O3.C25H20FN3O3.C21H20FN3O3/c1-6-32-26-16-22(34-5)12-14-24(26)25(17-30)28(32)20-8-10-21(11-9-20)31-29(33)35-27-15-19(4)7-13-23(27)18(2)3;1-4-29-24-15-21(31-3)13-14-22(24)23(16-27)25(29)18-7-9-19(10-8-18)28-26(30)32-20-11-5-17(2)6-12-20;2*1-3-29-23-14-20(31-2)12-13-21(23)22(15-27)24(29)16-4-8-18(9-5-16)28-25(30)32-19-10-6-17(26)7-11-19;1-3-25-19-12-16(27-2)8-9-17(19)18(13-23)20(25)14-4-6-15(7-5-14)24-21(26)28-11-10-22/h8-12,14,16,18-19,23,27H,6-7,13,15H2,1-5H3,(H,31,33);5-15H,4H2,1-3H3,(H,28,30);2*4-14H,3H2,1-2H3,(H,28,30);4-9,12H,3,10-11H2,1-2H3,(H,24,26)/t19-,23+,27+;;;;/m1..../s1
• InChIKey: NQCUOTCWDUIBBV-DAXKUXQKSA-N
• XLogP: 30.50
• TPSA: 381.40 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 25
• Rotatable Bonds: 27
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2155.87
LogP ≤ 5	30.50
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl) N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;2-fluoroethyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;(4-fluorophenyl) N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;(4-methylphenyl) N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate?

The IUPAC name of (4-chlorophenyl) N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;2-fluoroethyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;(4-fluorophenyl) N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;(4-methylphenyl) N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate (CID 159852540) is (4-chlorophenyl) N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;2-fluoroethyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;(4-fluorophenyl) N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;(4-methylphenyl) N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate.

What is the SMILES notation for (4-chlorophenyl) N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;2-fluoroethyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;(4-fluorophenyl) N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;(4-methylphenyl) N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate?

The canonical SMILES for (4-chlorophenyl) N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;2-fluoroethyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;(4-fluorophenyl) N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;(4-methylphenyl) N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate is CCn1c(-c2ccc(NC(=O)OCCF)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(NC(=O)O[C@H]3C[C@H](C)CC[C@H]3C(C)C)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(NC(=O)Oc3ccc(C)cc3)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(NC(=O)Oc3ccc(Cl)cc3)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(NC(=O)Oc3ccc(F)cc3)cc2)c(C#N)c2ccc(OC)cc21.

What is the InChIKey of (4-chlorophenyl) N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;2-fluoroethyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;(4-fluorophenyl) N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;(4-methylphenyl) N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate?

The InChIKey is NQCUOTCWDUIBBV-DAXKUXQKSA-N. The full InChI is InChI=1S/C29H35N3O3.C26H23N3O3.C25H20ClN3O3.C25H20FN3O3.C21H20FN3O3/c1-6-32-26-16-22(34-5)12-14-24(26)25(17-30)28(32)20-8-10-21(11-9-20)31-29(33)35-27-15-19(4)7-13-23(27)18(2)3;1-4-29-24-15-21(31-3)13-14-22(24)23(16-27)25(29)18-7-9-19(10-8-18)28-26(30)32-20-11-5-17(2)6-12-20;2*1-3-29-23-14-20(31-2)12-13-21(23)22(15-27)24(29)16-4-8-18(9-5-16)28-25(30)32-19-10-6-17(26)7-11-19;1-3-25-19-12-16(27-2)8-9-17(19)18(13-23)20(25)14-4-6-15(7-5-14)24-21(26)28-11-10-22/h8-12,14,16,18-19,23,27H,6-7,13,15H2,1-5H3,(H,31,33);5-15H,4H2,1-3H3,(H,28,30);2*4-14H,3H2,1-2H3,(H,28,30);4-9,12H,3,10-11H2,1-2H3,(H,24,26)/t19-,23+,27+;;;;/m1..../s1.

What are the key properties of (4-chlorophenyl) N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;2-fluoroethyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;(4-fluorophenyl) N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;(4-methylphenyl) N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate?

(4-chlorophenyl) N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;2-fluoroethyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;(4-fluorophenyl) N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;(4-methylphenyl) N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate has a molecular weight of 2155.87 g/mol, XLogP of 30.50, 27 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for (4-chlorophenyl) N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;2-fluoroethyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;(4-fluorophenyl) N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;(4-methylphenyl) N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate is sourced from PubChem (CID 159852540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 159852540 — identifiers, structure, computed properties (public domain)

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