2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide;ethane

C34H33F3N2O — CID 144948514

IUPAC2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide;ethane
SMILESCC.Cc1c(C)n(Cc2ccc(-c3ccccc3)cc2)c2ccc(C(=O)NCc3cccc(C(F)(F)F)c3)cc12
InChIInChI=1S/C32H27F3N2O.C2H6/c1-21-22(2)37(20-23-11-13-26(14-12-23)25-8-4-3-5-9-25)30-16-15-27(18-29(21)30)31(38)36-19-24-7-6-10-28(17-24)32(33,34)35;1-2/h3-18H,19-20H2,1-2H3,(H,36,38);1-2H3
InChIKeyLQPMHINMERDGES-UHFFFAOYSA-N
MW542.65 g/mol
LogP8.95
Rot. Bonds6

About 2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide;ethane

2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide;ethane (PubChem CID 144948514) has the molecular formula C34H33F3N2O and a molecular weight of 542.65 g/mol. Its IUPAC name is 2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide;ethane.

Molecular Properties

Compound Name2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide;ethane
PubChem CID144948514
Molecular FormulaC34H33F3N2O
Molecular Weight542.65 g/mol
Exact Mass542.25
IUPAC Name2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide;ethane
SMILESCC.Cc1c(C)n(Cc2ccc(-c3ccccc3)cc2)c2ccc(C(=O)NCc3cccc(C(F)(F)F)c3)cc12
InChIInChI=1S/C32H27F3N2O.C2H6/c1-21-22(2)37(20-23-11-13-26(14-12-23)25-8-4-3-5-9-25)30-16-15-27(18-29(21)30)31(38)36-19-24-7-6-10-28(17-24)32(33,34)35;1-2/h3-18H,19-20H2,1-2H3,(H,36,38);1-2H3
InChIKeyLQPMHINMERDGES-UHFFFAOYSA-N
XLogP8.95
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.65
LogP ≤ 58.95
H-Bond Donors ≤ 51
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,1-dibenzyl-2,3-dimethylindole-5-carboxamide
CID 20940123
2,3-dimethyl-1-[[4-(2-methylphenyl)phenyl]methyl]-N-[[4-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide
CID 144948501
2-[4-[[2,3-dimethyl-5-[[3-(trifluoromethoxy)phenyl]methylcarbamoyl]indol-1-yl]methyl]phenyl]benzoic acid
CID 71074745
(2S)-2-[[2,3-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]indole-5-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
CID 155533929
2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1R)-2,2,2-trifluoro-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide
CID 71099267
2,3-dimethyl-1-[[4-(2-methylphenyl)phenyl]methyl]-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]indole-5-carboxamide
CID 71112920
2-[4-[[2,3-dimethyl-5-[[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid
CID 53389239
N-[(3-chlorophenyl)methyl]-2,3-dimethyl-1-[(3-methylphenyl)methyl]indole-5-carboxamide
CID 20888437
N-[(4-fluorophenyl)methyl]-2,3-dimethyl-1-[(3-methylphenyl)methyl]indole-5-carboxamide
CID 20876874
2,3-dimethyl-N-[(1S)-1-naphthalen-1-ylethyl]-1-[(4-phenylphenyl)methyl]indole-5-carboxamide
CID 71099280
N-[(3-hydroxyphenyl)methyl]-2,3-dimethyl-1-[[4-(2-sulfamoylphenyl)phenyl]methyl]indole-5-carboxamide
CID 174231881
2-[2,3-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]indol-5-yl]prop-2-enamide
CID 175883504

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide;ethane?
The IUPAC name of 2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide;ethane (CID 144948514) is 2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide;ethane.
What is the SMILES notation for 2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide;ethane?
The canonical SMILES for 2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide;ethane is CC.Cc1c(C)n(Cc2ccc(-c3ccccc3)cc2)c2ccc(C(=O)NCc3cccc(C(F)(F)F)c3)cc12.
What is the InChIKey of 2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide;ethane?
The InChIKey is LQPMHINMERDGES-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H27F3N2O.C2H6/c1-21-22(2)37(20-23-11-13-26(14-12-23)25-8-4-3-5-9-25)30-16-15-27(18-29(21)30)31(38)36-19-24-7-6-10-28(17-24)32(33,34)35;1-2/h3-18H,19-20H2,1-2H3,(H,36,38);1-2H3.
What are the key properties of 2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide;ethane?
2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide;ethane has a molecular weight of 542.65 g/mol, XLogP of 8.95, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide;ethane is sourced from PubChem (CID 144948514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).