(4-bromophenyl) N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;2-methoxyethyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;2-methylpropyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;propan-2-yl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;prop-2-enyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate

C136H135BrN18O19 — CID 160528410

About (4-bromophenyl) N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;2-methoxyethyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;2-methylpropyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;propan-2-yl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;prop-2-enyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate

(4-bromophenyl) N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;2-methoxyethyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;2-methylpropyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;propan-2-yl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;prop-2-enyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate (PubChem CID 160528410) has the molecular formula C136H135BrN18O19 and a molecular weight of 2405.59 g/mol. Its IUPAC name is (4-bromophenyl) N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;2-methoxyethyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;2-methylpropyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;propan-2-yl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;prop-2-enyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate.

Molecular Properties

• Compound Name: (4-bromophenyl) N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;2-methoxyethyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;2-methylpropyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;propan-2-yl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;prop-2-enyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate
• PubChem CID: 160528410
• Molecular Formula: C136H135BrN18O19
• Molecular Weight: 2405.59 g/mol
• Exact Mass: 2402.93
• IUPAC Name: (4-bromophenyl) N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;2-methoxyethyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;2-methylpropyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;propan-2-yl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;prop-2-enyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate
• SMILES: C=CCOC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC)cc3n2CC)cc1.CCCOC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC)cc3n2CC)cc1.CCn1c(-c2ccc(NC(=O)OCC(C)C)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(NC(=O)OCCOC)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2cccc(NC(=O)OC(C)C)c2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2cccc(NC(=O)Oc3ccc(Br)cc3)c2)c(C#N)c2ccc(OC)cc21
• InChI: InChI=1S/C25H20BrN3O3.C23H25N3O3.C22H23N3O4.2C22H23N3O3.C22H21N3O3/c1-3-29-23-14-20(31-2)11-12-21(23)22(15-27)24(29)16-5-4-6-18(13-16)28-25(30)32-19-9-7-17(26)8-10-19;1-5-26-21-12-18(28-4)10-11-19(21)20(13-24)22(26)16-6-8-17(9-7-16)25-23(27)29-14-15(2)3;1-4-25-20-13-17(28-3)9-10-18(20)19(14-23)21(25)15-5-7-16(8-6-15)24-22(26)29-12-11-27-2;1-5-25-20-12-17(27-4)9-10-18(20)19(13-23)21(25)15-7-6-8-16(11-15)24-22(26)28-14(2)3;2*1-4-12-28-22(26)24-16-8-6-15(7-9-16)21-19(14-23)18-11-10-17(27-3)13-20(18)25(21)5-2/h4-14H,3H2,1-2H3,(H,28,30);6-12,15H,5,14H2,1-4H3,(H,25,27);5-10,13H,4,11-12H2,1-3H3,(H,24,26);6-12,14H,5H2,1-4H3,(H,24,26);6-11,13H,4-5,12H2,1-3H3,(H,24,26);4,6-11,13H,1,5,12H2,2-3H3,(H,24,26)
• InChIKey: QVFCHQORPBPNPV-UHFFFAOYSA-N
• XLogP: 31.67
• TPSA: 466.91 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 31
• Rotatable Bonds: 35
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2405.59
LogP ≤ 5	31.67
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl) N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;2-methoxyethyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;2-methylpropyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;propan-2-yl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;prop-2-enyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate?

The IUPAC name of (4-bromophenyl) N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;2-methoxyethyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;2-methylpropyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;propan-2-yl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;prop-2-enyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate (CID 160528410) is (4-bromophenyl) N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;2-methoxyethyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;2-methylpropyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;propan-2-yl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;prop-2-enyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate.

What is the SMILES notation for (4-bromophenyl) N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;2-methoxyethyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;2-methylpropyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;propan-2-yl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;prop-2-enyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate?

The canonical SMILES for (4-bromophenyl) N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;2-methoxyethyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;2-methylpropyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;propan-2-yl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;prop-2-enyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate is C=CCOC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC)cc3n2CC)cc1.CCCOC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC)cc3n2CC)cc1.CCn1c(-c2ccc(NC(=O)OCC(C)C)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(NC(=O)OCCOC)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2cccc(NC(=O)OC(C)C)c2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2cccc(NC(=O)Oc3ccc(Br)cc3)c2)c(C#N)c2ccc(OC)cc21.

What is the InChIKey of (4-bromophenyl) N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;2-methoxyethyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;2-methylpropyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;propan-2-yl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;prop-2-enyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate?

The InChIKey is QVFCHQORPBPNPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20BrN3O3.C23H25N3O3.C22H23N3O4.2C22H23N3O3.C22H21N3O3/c1-3-29-23-14-20(31-2)11-12-21(23)22(15-27)24(29)16-5-4-6-18(13-16)28-25(30)32-19-9-7-17(26)8-10-19;1-5-26-21-12-18(28-4)10-11-19(21)20(13-24)22(26)16-6-8-17(9-7-16)25-23(27)29-14-15(2)3;1-4-25-20-13-17(28-3)9-10-18(20)19(14-23)21(25)15-5-7-16(8-6-15)24-22(26)29-12-11-27-2;1-5-25-20-12-17(27-4)9-10-18(20)19(13-23)21(25)15-7-6-8-16(11-15)24-22(26)28-14(2)3;2*1-4-12-28-22(26)24-16-8-6-15(7-9-16)21-19(14-23)18-11-10-17(27-3)13-20(18)25(21)5-2/h4-14H,3H2,1-2H3,(H,28,30);6-12,15H,5,14H2,1-4H3,(H,25,27);5-10,13H,4,11-12H2,1-3H3,(H,24,26);6-12,14H,5H2,1-4H3,(H,24,26);6-11,13H,4-5,12H2,1-3H3,(H,24,26);4,6-11,13H,1,5,12H2,2-3H3,(H,24,26).

What are the key properties of (4-bromophenyl) N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;2-methoxyethyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;2-methylpropyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;propan-2-yl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;prop-2-enyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate?

(4-bromophenyl) N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;2-methoxyethyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;2-methylpropyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;propan-2-yl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;prop-2-enyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate has a molecular weight of 2405.59 g/mol, XLogP of 31.67, 35 rotatable bonds, 6 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for (4-bromophenyl) N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;2-methoxyethyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;2-methylpropyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;propan-2-yl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;prop-2-enyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate is sourced from PubChem (CID 160528410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).