6-propan-2-yl-N-[2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethyl]-1H-indole-2-carboxamide

C21H18F6N2O — CID 141437359

IUPAC6-propan-2-yl-N-[2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethyl]-1H-indole-2-carboxamide
SMILESCC(C)c1ccc2cc(C(=O)NC(c3cccc(C(F)(F)F)c3)C(F)(F)F)[nH]c2c1
InChIInChI=1S/C21H18F6N2O/c1-11(2)12-6-7-13-10-17(28-16(13)9-12)19(30)29-18(21(25,26)27)14-4-3-5-15(8-14)20(22,23)24/h3-11,18,28H,1-2H3,(H,29,30)
InChIKeyXHVPMSURMCLHCL-UHFFFAOYSA-N
MW428.38 g/mol
LogP6.34
Rot. Bonds4

About 6-propan-2-yl-N-[2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethyl]-1H-indole-2-carboxamide

6-propan-2-yl-N-[2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethyl]-1H-indole-2-carboxamide (PubChem CID 141437359) has the molecular formula C21H18F6N2O and a molecular weight of 428.38 g/mol. Its IUPAC name is 6-propan-2-yl-N-[2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6-propan-2-yl-N-[2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethyl]-1H-indole-2-carboxamide
PubChem CID141437359
Molecular FormulaC21H18F6N2O
Molecular Weight428.38 g/mol
Exact Mass428.13
IUPAC Name6-propan-2-yl-N-[2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethyl]-1H-indole-2-carboxamide
SMILESCC(C)c1ccc2cc(C(=O)NC(c3cccc(C(F)(F)F)c3)C(F)(F)F)[nH]c2c1
InChIInChI=1S/C21H18F6N2O/c1-11(2)12-6-7-13-10-17(28-16(13)9-12)19(30)29-18(21(25,26)27)14-4-3-5-15(8-14)20(22,23)24/h3-11,18,28H,1-2H3,(H,29,30)
InChIKeyXHVPMSURMCLHCL-UHFFFAOYSA-N
XLogP6.34
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.38
LogP ≤ 56.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 6-propan-2-yl-N-[2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethyl]-1H-indole-2-carboxamide with MolForge

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Related Compounds

N-(1-phenylethyl)-5-(trifluoromethyl)-1H-indole-2-carboxamide
CID 123184701
6-chloro-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]-1H-indole-2-carboxamide
CID 166189903
N-[(1S)-2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethyl]prop-2-enamide
CID 124565620
N,N-dimethyl-6-propan-2-yl-1H-indole-2-carboxamide
CID 47186797
(2S)-2-amino-N-[2,2-dimethyl-1-[3-(trifluoromethyl)phenyl]propyl]propanamide
CID 119316444
2-N-[2,2,2-trifluoro-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethyl]-1H-indole-2,5-dicarboxamide
CID 162541480
methyl 1-ethyl-6-propan-2-yl-2-[[2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethyl]carbamoyl]indole-5-carboxylate
CID 90072110
6-chloro-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-indole-2-carboxamide
CID 166373419
6-methyl-N-propan-2-yl-1H-indole-2-carboxamide
CID 110847855
[2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethyl]hydrazine
CID 53402398
methyl 6-methyl-2-[[2,2,2-trifluoro-1-(3,4,5-trichlorophenyl)ethyl]carbamoyl]-1H-indole-5-carboxylate
CID 88924409
2,2,3,3-tetrafluoro-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide
CID 103732062

Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yl-N-[2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethyl]-1H-indole-2-carboxamide?
The IUPAC name of 6-propan-2-yl-N-[2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethyl]-1H-indole-2-carboxamide (CID 141437359) is 6-propan-2-yl-N-[2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 6-propan-2-yl-N-[2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethyl]-1H-indole-2-carboxamide?
The canonical SMILES for 6-propan-2-yl-N-[2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethyl]-1H-indole-2-carboxamide is CC(C)c1ccc2cc(C(=O)NC(c3cccc(C(F)(F)F)c3)C(F)(F)F)[nH]c2c1.
What is the InChIKey of 6-propan-2-yl-N-[2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethyl]-1H-indole-2-carboxamide?
The InChIKey is XHVPMSURMCLHCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F6N2O/c1-11(2)12-6-7-13-10-17(28-16(13)9-12)19(30)29-18(21(25,26)27)14-4-3-5-15(8-14)20(22,23)24/h3-11,18,28H,1-2H3,(H,29,30).
What are the key properties of 6-propan-2-yl-N-[2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethyl]-1H-indole-2-carboxamide?
6-propan-2-yl-N-[2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethyl]-1H-indole-2-carboxamide has a molecular weight of 428.38 g/mol, XLogP of 6.34, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yl-N-[2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 141437359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).