6-methoxy-N-[2-[2-methyl-7-(trifluoromethyl)-1H-indol-3-yl]ethyl]-1H-indole-2-carboxamide

C22H20F3N3O2 — CID 44624873

IUPAC6-methoxy-N-[2-[2-methyl-7-(trifluoromethyl)-1H-indol-3-yl]ethyl]-1H-indole-2-carboxamide
SMILESCOc1ccc2cc(C(=O)NCCc3c(C)[nH]c4c(C(F)(F)F)cccc34)[nH]c2c1
InChIInChI=1S/C22H20F3N3O2/c1-12-15(16-4-3-5-17(20(16)27-12)22(23,24)25)8-9-26-21(29)19-10-13-6-7-14(30-2)11-18(13)28-19/h3-7,10-11,27-28H,8-9H2,1-2H3,(H,26,29)
InChIKeyMRPDDUDXNWTGMA-UHFFFAOYSA-N
MW415.42 g/mol
LogP4.96
Rot. Bonds5

About 6-methoxy-N-[2-[2-methyl-7-(trifluoromethyl)-1H-indol-3-yl]ethyl]-1H-indole-2-carboxamide

6-methoxy-N-[2-[2-methyl-7-(trifluoromethyl)-1H-indol-3-yl]ethyl]-1H-indole-2-carboxamide (PubChem CID 44624873) has the molecular formula C22H20F3N3O2 and a molecular weight of 415.42 g/mol. Its IUPAC name is 6-methoxy-N-[2-[2-methyl-7-(trifluoromethyl)-1H-indol-3-yl]ethyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6-methoxy-N-[2-[2-methyl-7-(trifluoromethyl)-1H-indol-3-yl]ethyl]-1H-indole-2-carboxamide
PubChem CID44624873
Molecular FormulaC22H20F3N3O2
Molecular Weight415.42 g/mol
Exact Mass415.15
IUPAC Name6-methoxy-N-[2-[2-methyl-7-(trifluoromethyl)-1H-indol-3-yl]ethyl]-1H-indole-2-carboxamide
SMILESCOc1ccc2cc(C(=O)NCCc3c(C)[nH]c4c(C(F)(F)F)cccc34)[nH]c2c1
InChIInChI=1S/C22H20F3N3O2/c1-12-15(16-4-3-5-17(20(16)27-12)22(23,24)25)8-9-26-21(29)19-10-13-6-7-14(30-2)11-18(13)28-19/h3-7,10-11,27-28H,8-9H2,1-2H3,(H,26,29)
InChIKeyMRPDDUDXNWTGMA-UHFFFAOYSA-N
XLogP4.96
TPSA69.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.42
LogP ≤ 54.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-6-methoxy-1H-indole-2-carboxamide
CID 55721215
N-(2-benzamidoethyl)-6-methoxy-1H-indole-2-carboxamide
CID 134003045
6-methoxy-N-(3-methoxypropyl)-1H-indole-2-carboxamide
CID 4905349
N-[2-(7-bromo-2-methyl-1H-indol-3-yl)ethyl]-5-chloro-1H-indole-2-carboxamide
CID 59173231
N-[2-(5-bromo-7-fluoro-2-methyl-1H-indol-3-yl)ethyl]-5-(trifluoromethoxy)-1H-indole-2-carboxamide
CID 70920633
N-[2-(2-fluorophenyl)-2-methoxypropyl]-6-methoxy-1H-indole-2-carboxamide
CID 90599204
5-methoxy-N-[2-(3-methoxyphenyl)ethyl]-1H-indole-2-carboxamide
CID 113207269
N-(2-amino-2-methylpropyl)-6-methoxy-1H-indole-2-carboxamide
CID 110833540
2-chloro-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]benzamide
CID 113086116
6-chloro-N-[2-(3-methoxyphenyl)ethyl]-1H-indole-2-carboxamide
CID 113207539
2,3,4-trifluoro-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]benzamide
CID 113086126
N-[2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethyl]thiophene-2-carboxamide
CID 617829

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[2-[2-methyl-7-(trifluoromethyl)-1H-indol-3-yl]ethyl]-1H-indole-2-carboxamide?
The IUPAC name of 6-methoxy-N-[2-[2-methyl-7-(trifluoromethyl)-1H-indol-3-yl]ethyl]-1H-indole-2-carboxamide (CID 44624873) is 6-methoxy-N-[2-[2-methyl-7-(trifluoromethyl)-1H-indol-3-yl]ethyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 6-methoxy-N-[2-[2-methyl-7-(trifluoromethyl)-1H-indol-3-yl]ethyl]-1H-indole-2-carboxamide?
The canonical SMILES for 6-methoxy-N-[2-[2-methyl-7-(trifluoromethyl)-1H-indol-3-yl]ethyl]-1H-indole-2-carboxamide is COc1ccc2cc(C(=O)NCCc3c(C)[nH]c4c(C(F)(F)F)cccc34)[nH]c2c1.
What is the InChIKey of 6-methoxy-N-[2-[2-methyl-7-(trifluoromethyl)-1H-indol-3-yl]ethyl]-1H-indole-2-carboxamide?
The InChIKey is MRPDDUDXNWTGMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N3O2/c1-12-15(16-4-3-5-17(20(16)27-12)22(23,24)25)8-9-26-21(29)19-10-13-6-7-14(30-2)11-18(13)28-19/h3-7,10-11,27-28H,8-9H2,1-2H3,(H,26,29).
What are the key properties of 6-methoxy-N-[2-[2-methyl-7-(trifluoromethyl)-1H-indol-3-yl]ethyl]-1H-indole-2-carboxamide?
6-methoxy-N-[2-[2-methyl-7-(trifluoromethyl)-1H-indol-3-yl]ethyl]-1H-indole-2-carboxamide has a molecular weight of 415.42 g/mol, XLogP of 4.96, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[2-[2-methyl-7-(trifluoromethyl)-1H-indol-3-yl]ethyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 44624873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).