benzyl N-[3-(3-cyano-6-methoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate;N-[3-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]benzamide;N-[3-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]carbamoyl chloride;N-[3-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]propanamide;(4-methoxyphenyl) N-[3-(3-cyano-6-methoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate

C119H99ClF9N15O10 — CID 159574592

About benzyl N-[3-(3-cyano-6-methoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate;N-[3-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]benzamide;N-[3-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]carbamoyl chloride;N-[3-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]propanamide;(4-methoxyphenyl) N-[3-(3-cyano-6-methoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate

benzyl N-[3-(3-cyano-6-methoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate;N-[3-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]benzamide;N-[3-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]carbamoyl chloride;N-[3-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]propanamide;(4-methoxyphenyl) N-[3-(3-cyano-6-methoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate (PubChem CID 159574592) has the molecular formula C119H99ClF9N15O10 and a molecular weight of 2105.63 g/mol. Its IUPAC name is benzyl N-[3-(3-cyano-6-methoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate;N-[3-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]benzamide;N-[3-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]carbamoyl chloride;N-[3-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]propanamide;(4-methoxyphenyl) N-[3-(3-cyano-6-methoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate.

Molecular Properties

• Compound Name: benzyl N-[3-(3-cyano-6-methoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate;N-[3-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]benzamide;N-[3-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]carbamoyl chloride;N-[3-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]propanamide;(4-methoxyphenyl) N-[3-(3-cyano-6-methoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate
• PubChem CID: 159574592
• Molecular Formula: C119H99ClF9N15O10
• Molecular Weight: 2105.63 g/mol
• Exact Mass: 2103.72
• IUPAC Name: benzyl N-[3-(3-cyano-6-methoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate;N-[3-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]benzamide;N-[3-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]carbamoyl chloride;N-[3-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]propanamide;(4-methoxyphenyl) N-[3-(3-cyano-6-methoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate
• SMILES: CCC(=O)Nc1cccc(-c2c(C#N)c3ccc(C(F)(F)F)cc3n2CC)c1.CCn1c(-c2cccc(NC(=O)Cl)c2)c(C#N)c2ccc(C(F)(F)F)cc21.CCn1c(-c2cccc(NC(=O)c3ccccc3)c2)c(C#N)c2ccc(C(F)(F)F)cc21.COc1ccc(OC(=O)Nc2cccc(-c3c(C#N)c4ccc(OC)cc4n3C(C)C)c2)cc1.COc1ccc2c(C#N)c(-c3cccc(NC(=O)OCc4ccccc4)c3)n(C(C)C)c2c1
• InChI: InChI=1S/C27H25N3O4.C27H25N3O3.C25H18F3N3O.C21H18F3N3O.C19H13ClF3N3O/c1-17(2)30-25-15-22(33-4)12-13-23(25)24(16-28)26(30)18-6-5-7-19(14-18)29-27(31)34-21-10-8-20(32-3)9-11-21;1-18(2)30-25-15-22(32-3)12-13-23(25)24(16-28)26(30)20-10-7-11-21(14-20)29-27(31)33-17-19-8-5-4-6-9-19;1-2-31-22-14-18(25(26,27)28)11-12-20(22)21(15-29)23(31)17-9-6-10-19(13-17)30-24(32)16-7-4-3-5-8-16;1-3-19(28)26-15-7-5-6-13(10-15)20-17(12-25)16-9-8-14(21(22,23)24)11-18(16)27(20)4-2;1-2-26-16-9-12(19(21,22)23)6-7-14(16)15(10-24)17(26)11-4-3-5-13(8-11)25-18(20)27/h5-15,17H,1-4H3,(H,29,31);4-15,18H,17H2,1-3H3,(H,29,31);3-14H,2H2,1H3,(H,30,32);5-11H,3-4H2,1-2H3,(H,26,28);3-9H,2H2,1H3,(H,25,27)
• InChIKey: MIFXHYJAMDYUPN-UHFFFAOYSA-N
• XLogP: 30.93
• TPSA: 335.25 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 20
• Rotatable Bonds: 23
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2105.63
LogP ≤ 5	30.93
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of benzyl N-[3-(3-cyano-6-methoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate;N-[3-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]benzamide;N-[3-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]carbamoyl chloride;N-[3-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]propanamide;(4-methoxyphenyl) N-[3-(3-cyano-6-methoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate?

The IUPAC name of benzyl N-[3-(3-cyano-6-methoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate;N-[3-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]benzamide;N-[3-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]carbamoyl chloride;N-[3-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]propanamide;(4-methoxyphenyl) N-[3-(3-cyano-6-methoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate (CID 159574592) is benzyl N-[3-(3-cyano-6-methoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate;N-[3-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]benzamide;N-[3-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]carbamoyl chloride;N-[3-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]propanamide;(4-methoxyphenyl) N-[3-(3-cyano-6-methoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate.

What is the SMILES notation for benzyl N-[3-(3-cyano-6-methoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate;N-[3-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]benzamide;N-[3-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]carbamoyl chloride;N-[3-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]propanamide;(4-methoxyphenyl) N-[3-(3-cyano-6-methoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate?

The canonical SMILES for benzyl N-[3-(3-cyano-6-methoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate;N-[3-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]benzamide;N-[3-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]carbamoyl chloride;N-[3-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]propanamide;(4-methoxyphenyl) N-[3-(3-cyano-6-methoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate is CCC(=O)Nc1cccc(-c2c(C#N)c3ccc(C(F)(F)F)cc3n2CC)c1.CCn1c(-c2cccc(NC(=O)Cl)c2)c(C#N)c2ccc(C(F)(F)F)cc21.CCn1c(-c2cccc(NC(=O)c3ccccc3)c2)c(C#N)c2ccc(C(F)(F)F)cc21.COc1ccc(OC(=O)Nc2cccc(-c3c(C#N)c4ccc(OC)cc4n3C(C)C)c2)cc1.COc1ccc2c(C#N)c(-c3cccc(NC(=O)OCc4ccccc4)c3)n(C(C)C)c2c1.

What is the InChIKey of benzyl N-[3-(3-cyano-6-methoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate;N-[3-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]benzamide;N-[3-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]carbamoyl chloride;N-[3-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]propanamide;(4-methoxyphenyl) N-[3-(3-cyano-6-methoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate?

The InChIKey is MIFXHYJAMDYUPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O4.C27H25N3O3.C25H18F3N3O.C21H18F3N3O.C19H13ClF3N3O/c1-17(2)30-25-15-22(33-4)12-13-23(25)24(16-28)26(30)18-6-5-7-19(14-18)29-27(31)34-21-10-8-20(32-3)9-11-21;1-18(2)30-25-15-22(32-3)12-13-23(25)24(16-28)26(30)20-10-7-11-21(14-20)29-27(31)33-17-19-8-5-4-6-9-19;1-2-31-22-14-18(25(26,27)28)11-12-20(22)21(15-29)23(31)17-9-6-10-19(13-17)30-24(32)16-7-4-3-5-8-16;1-3-19(28)26-15-7-5-6-13(10-15)20-17(12-25)16-9-8-14(21(22,23)24)11-18(16)27(20)4-2;1-2-26-16-9-12(19(21,22)23)6-7-14(16)15(10-24)17(26)11-4-3-5-13(8-11)25-18(20)27/h5-15,17H,1-4H3,(H,29,31);4-15,18H,17H2,1-3H3,(H,29,31);3-14H,2H2,1H3,(H,30,32);5-11H,3-4H2,1-2H3,(H,26,28);3-9H,2H2,1H3,(H,25,27).

What are the key properties of benzyl N-[3-(3-cyano-6-methoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate;N-[3-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]benzamide;N-[3-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]carbamoyl chloride;N-[3-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]propanamide;(4-methoxyphenyl) N-[3-(3-cyano-6-methoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate?

benzyl N-[3-(3-cyano-6-methoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate;N-[3-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]benzamide;N-[3-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]carbamoyl chloride;N-[3-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]propanamide;(4-methoxyphenyl) N-[3-(3-cyano-6-methoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate has a molecular weight of 2105.63 g/mol, XLogP of 30.93, 23 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for benzyl N-[3-(3-cyano-6-methoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate;N-[3-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]benzamide;N-[3-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]carbamoyl chloride;N-[3-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]propanamide;(4-methoxyphenyl) N-[3-(3-cyano-6-methoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate is sourced from PubChem (CID 159574592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).