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

C22H23F3N2O — CID 110497558

IUPAC1,5-diethyl-3-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]indole-2-carboxamide
SMILESCCc1ccc2c(c1)c(C)c(C(=O)NCc1cccc(C(F)(F)F)c1)n2CC
InChIInChI=1S/C22H23F3N2O/c1-4-15-9-10-19-18(12-15)14(3)20(27(19)5-2)21(28)26-13-16-7-6-8-17(11-16)22(23,24)25/h6-12H,4-5,13H2,1-3H3,(H,26,28)
InChIKeyTVGQKCINBRDEER-UHFFFAOYSA-N
MW388.43 g/mol
LogP5.48
Rot. Bonds5

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

1,5-diethyl-3-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]indole-2-carboxamide (PubChem CID 110497558) has the molecular formula C22H23F3N2O and a molecular weight of 388.43 g/mol. Its IUPAC name is 1,5-diethyl-3-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]indole-2-carboxamide.

Molecular Properties

Compound Name1,5-diethyl-3-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]indole-2-carboxamide
PubChem CID110497558
Molecular FormulaC22H23F3N2O
Molecular Weight388.43 g/mol
Exact Mass388.18
IUPAC Name1,5-diethyl-3-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]indole-2-carboxamide
SMILESCCc1ccc2c(c1)c(C)c(C(=O)NCc1cccc(C(F)(F)F)c1)n2CC
InChIInChI=1S/C22H23F3N2O/c1-4-15-9-10-19-18(12-15)14(3)20(27(19)5-2)21(28)26-13-16-7-6-8-17(11-16)22(23,24)25/h6-12H,4-5,13H2,1-3H3,(H,26,28)
InChIKeyTVGQKCINBRDEER-UHFFFAOYSA-N
XLogP5.48
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.43
LogP ≤ 55.48
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

1,5-diethyl-3-methyl-N-[2-(trifluoromethyl)phenyl]indole-2-carboxamide
CID 110501721
3-methyl-5-propan-2-yl-1-prop-2-enyl-N-[[3-(trifluoromethyl)phenyl]methyl]indole-2-carboxamide
CID 110497659
1,5-diethyl-N-(2-hydroxypropyl)-3-methylindole-2-carboxamide
CID 110497470
N-benzyl-1-ethyl-3-methylindole-2-carboxamide
CID 110497374
2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide;ethane
CID 144948514
3-[(1,5-diethyl-3-methylindole-2-carbonyl)amino]benzoic acid
CID 110501677
2-[3-(trifluoromethyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 26241577
1-ethyl-2,3-dioxo-N-[[3-(trifluoromethyl)phenyl]methyl]-4H-quinoxaline-6-carboxamide
CID 24536906
N-(4-bromophenyl)-1,5-diethyl-3-methylindole-2-carboxamide
CID 110501716
2-[(1,5-diethyl-3-methylindole-2-carbonyl)amino]butanoic acid
CID 110497523
N-(2,4-dimethylphenyl)-1,5-diethyl-3-methylindole-2-carboxamide
CID 110501710
1,5-diethyl-N-(2-methoxyphenyl)-3-methylindole-2-carboxamide
CID 110501729

Frequently Asked Questions

What is the IUPAC name of 1,5-diethyl-3-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]indole-2-carboxamide?
The IUPAC name of 1,5-diethyl-3-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]indole-2-carboxamide (CID 110497558) is 1,5-diethyl-3-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]indole-2-carboxamide.
What is the SMILES notation for 1,5-diethyl-3-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]indole-2-carboxamide?
The canonical SMILES for 1,5-diethyl-3-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]indole-2-carboxamide is CCc1ccc2c(c1)c(C)c(C(=O)NCc1cccc(C(F)(F)F)c1)n2CC.
What is the InChIKey of 1,5-diethyl-3-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]indole-2-carboxamide?
The InChIKey is TVGQKCINBRDEER-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N2O/c1-4-15-9-10-19-18(12-15)14(3)20(27(19)5-2)21(28)26-13-16-7-6-8-17(11-16)22(23,24)25/h6-12H,4-5,13H2,1-3H3,(H,26,28).
What are the key properties of 1,5-diethyl-3-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]indole-2-carboxamide?
1,5-diethyl-3-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]indole-2-carboxamide has a molecular weight of 388.43 g/mol, XLogP of 5.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-diethyl-3-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]indole-2-carboxamide is sourced from PubChem (CID 110497558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).