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

C33H29F3N2O — CID 144948501

IUPAC2,3-dimethyl-1-[[4-(2-methylphenyl)phenyl]methyl]-N-[[4-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide
SMILESCc1ccccc1-c1ccc(Cn2c(C)c(C)c3cc(C(=O)NCc4ccc(C(F)(F)F)cc4)ccc32)cc1
InChIInChI=1S/C33H29F3N2O/c1-21-6-4-5-7-29(21)26-12-8-25(9-13-26)20-38-23(3)22(2)30-18-27(14-17-31(30)38)32(39)37-19-24-10-15-28(16-11-24)33(34,35)36/h4-18H,19-20H2,1-3H3,(H,37,39)
InChIKeyFQXLJAZWDNAYNS-UHFFFAOYSA-N
MW526.60 g/mol
LogP8.23
Rot. Bonds6

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

2,3-dimethyl-1-[[4-(2-methylphenyl)phenyl]methyl]-N-[[4-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide (PubChem CID 144948501) has the molecular formula C33H29F3N2O and a molecular weight of 526.60 g/mol. Its IUPAC name is 2,3-dimethyl-1-[[4-(2-methylphenyl)phenyl]methyl]-N-[[4-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide.

Molecular Properties

Compound Name2,3-dimethyl-1-[[4-(2-methylphenyl)phenyl]methyl]-N-[[4-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide
PubChem CID144948501
Molecular FormulaC33H29F3N2O
Molecular Weight526.60 g/mol
Exact Mass526.22
IUPAC Name2,3-dimethyl-1-[[4-(2-methylphenyl)phenyl]methyl]-N-[[4-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide
SMILESCc1ccccc1-c1ccc(Cn2c(C)c(C)c3cc(C(=O)NCc4ccc(C(F)(F)F)cc4)ccc32)cc1
InChIInChI=1S/C33H29F3N2O/c1-21-6-4-5-7-29(21)26-12-8-25(9-13-26)20-38-23(3)22(2)30-18-27(14-17-31(30)38)32(39)37-19-24-10-15-28(16-11-24)33(34,35)36/h4-18H,19-20H2,1-3H3,(H,37,39)
InChIKeyFQXLJAZWDNAYNS-UHFFFAOYSA-N
XLogP8.23
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.60
LogP ≤ 58.23
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

2,3-dimethyl-1-[[4-(2-methylphenyl)phenyl]methyl]-N-[1-[4-(trifluoromethyl)phenyl]ethyl]indole-5-carboxamide
CID 78012061
2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide;ethane
CID 144948514
2,3-dimethyl-1-[[4-(2-methylphenyl)phenyl]methyl]-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]indole-5-carboxamide
CID 71112920
N,1-dibenzyl-2,3-dimethylindole-5-carboxamide
CID 20940123
1-[[4-(2-acetylphenyl)phenyl]methyl]-N-[[4-(dimethylamino)phenyl]methyl]-2,3-dimethylindole-5-carboxamide
CID 118464375
1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]indole-5-carboxamide
CID 71075155
2-[4-[[2,3-dimethyl-5-[[3-(trifluoromethoxy)phenyl]methylcarbamoyl]indol-1-yl]methyl]phenyl]benzoic acid
CID 71074745
2-[4-[[5-[[4-[amino(hydroxy)amino]phenyl]methylcarbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid
CID 144948606
2,3-dimethyl-1-[[4-(2-methylphenyl)phenyl]methyl]-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]indole-5-carboxamide
CID 78012100
[2-[4-[[5-[(3-hydroxyphenyl)methylcarbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]phenyl] formate
CID 171467852
N-[(3-hydroxyphenyl)methyl]-2,3-dimethyl-1-[[4-(2-sulfamoylphenyl)phenyl]methyl]indole-5-carboxamide
CID 174231881
2-[4-[[5-[1-[2-chloro-5-(trifluoromethyl)phenyl]ethylcarbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid
CID 71075013

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1-[[4-(2-methylphenyl)phenyl]methyl]-N-[[4-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide?
The IUPAC name of 2,3-dimethyl-1-[[4-(2-methylphenyl)phenyl]methyl]-N-[[4-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide (CID 144948501) is 2,3-dimethyl-1-[[4-(2-methylphenyl)phenyl]methyl]-N-[[4-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide.
What is the SMILES notation for 2,3-dimethyl-1-[[4-(2-methylphenyl)phenyl]methyl]-N-[[4-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide?
The canonical SMILES for 2,3-dimethyl-1-[[4-(2-methylphenyl)phenyl]methyl]-N-[[4-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide is Cc1ccccc1-c1ccc(Cn2c(C)c(C)c3cc(C(=O)NCc4ccc(C(F)(F)F)cc4)ccc32)cc1.
What is the InChIKey of 2,3-dimethyl-1-[[4-(2-methylphenyl)phenyl]methyl]-N-[[4-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide?
The InChIKey is FQXLJAZWDNAYNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H29F3N2O/c1-21-6-4-5-7-29(21)26-12-8-25(9-13-26)20-38-23(3)22(2)30-18-27(14-17-31(30)38)32(39)37-19-24-10-15-28(16-11-24)33(34,35)36/h4-18H,19-20H2,1-3H3,(H,37,39).
What are the key properties of 2,3-dimethyl-1-[[4-(2-methylphenyl)phenyl]methyl]-N-[[4-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide?
2,3-dimethyl-1-[[4-(2-methylphenyl)phenyl]methyl]-N-[[4-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide has a molecular weight of 526.60 g/mol, XLogP of 8.23, 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-(2-methylphenyl)phenyl]methyl]-N-[[4-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide is sourced from PubChem (CID 144948501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).