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

C21H21F3N2O — CID 110501721

IUPAC1,5-diethyl-3-methyl-N-[2-(trifluoromethyl)phenyl]indole-2-carboxamide
SMILESCCc1ccc2c(c1)c(C)c(C(=O)Nc1ccccc1C(F)(F)F)n2CC
InChIInChI=1S/C21H21F3N2O/c1-4-14-10-11-18-15(12-14)13(3)19(26(18)5-2)20(27)25-17-9-7-6-8-16(17)21(22,23)24/h6-12H,4-5H2,1-3H3,(H,25,27)
InChIKeyKLVDDGWZKLWPOF-UHFFFAOYSA-N
MW374.41 g/mol
LogP5.80
Rot. Bonds4

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

1,5-diethyl-3-methyl-N-[2-(trifluoromethyl)phenyl]indole-2-carboxamide (PubChem CID 110501721) has the molecular formula C21H21F3N2O and a molecular weight of 374.41 g/mol. Its IUPAC name is 1,5-diethyl-3-methyl-N-[2-(trifluoromethyl)phenyl]indole-2-carboxamide.

Molecular Properties

Compound Name1,5-diethyl-3-methyl-N-[2-(trifluoromethyl)phenyl]indole-2-carboxamide
PubChem CID110501721
Molecular FormulaC21H21F3N2O
Molecular Weight374.41 g/mol
Exact Mass374.16
IUPAC Name1,5-diethyl-3-methyl-N-[2-(trifluoromethyl)phenyl]indole-2-carboxamide
SMILESCCc1ccc2c(c1)c(C)c(C(=O)Nc1ccccc1C(F)(F)F)n2CC
InChIInChI=1S/C21H21F3N2O/c1-4-14-10-11-18-15(12-14)13(3)19(26(18)5-2)20(27)25-17-9-7-6-8-16(17)21(22,23)24/h6-12H,4-5H2,1-3H3,(H,25,27)
InChIKeyKLVDDGWZKLWPOF-UHFFFAOYSA-N
XLogP5.80
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.41
LogP ≤ 55.80
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-[(1,5-diethyl-3-methylindole-2-carbonyl)amino]benzoic acid
CID 110501763
1,5-diethyl-N-(2-methoxyphenyl)-3-methylindole-2-carboxamide
CID 110501729
N-(2,4-dimethylphenyl)-1,5-diethyl-3-methylindole-2-carboxamide
CID 110501710
1,5-diethyl-3-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]indole-2-carboxamide
CID 110497558
N-(2-bromo-4-methylphenyl)-1,5-diethyl-3-methylindole-2-carboxamide
CID 110501795
N-(4-chloro-2-methylphenyl)-1,5-diethyl-3-methylindole-2-carboxamide
CID 110501629
1,5-diethyl-N-(2-hydroxypropyl)-3-methylindole-2-carboxamide
CID 110497470
ethyl 4-[(1,5-diethyl-3-methylindole-2-carbonyl)amino]benzoate
CID 110501627
2-[(1,5-diethyl-3-methylindole-2-carbonyl)amino]butanoic acid
CID 110497523
5-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-1-ethyl-3-methylindole-2-carboxamide
CID 110502078
N-[2-(1H-benzimidazol-2-yl)ethyl]-1,5-diethyl-3-methylindole-2-carboxamide
CID 110501775
1,5-diethyl-3-methyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]indole-2-carboxamide
CID 110501633

Frequently Asked Questions

What is the IUPAC name of 1,5-diethyl-3-methyl-N-[2-(trifluoromethyl)phenyl]indole-2-carboxamide?
The IUPAC name of 1,5-diethyl-3-methyl-N-[2-(trifluoromethyl)phenyl]indole-2-carboxamide (CID 110501721) is 1,5-diethyl-3-methyl-N-[2-(trifluoromethyl)phenyl]indole-2-carboxamide.
What is the SMILES notation for 1,5-diethyl-3-methyl-N-[2-(trifluoromethyl)phenyl]indole-2-carboxamide?
The canonical SMILES for 1,5-diethyl-3-methyl-N-[2-(trifluoromethyl)phenyl]indole-2-carboxamide is CCc1ccc2c(c1)c(C)c(C(=O)Nc1ccccc1C(F)(F)F)n2CC.
What is the InChIKey of 1,5-diethyl-3-methyl-N-[2-(trifluoromethyl)phenyl]indole-2-carboxamide?
The InChIKey is KLVDDGWZKLWPOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N2O/c1-4-14-10-11-18-15(12-14)13(3)19(26(18)5-2)20(27)25-17-9-7-6-8-16(17)21(22,23)24/h6-12H,4-5H2,1-3H3,(H,25,27).
What are the key properties of 1,5-diethyl-3-methyl-N-[2-(trifluoromethyl)phenyl]indole-2-carboxamide?
1,5-diethyl-3-methyl-N-[2-(trifluoromethyl)phenyl]indole-2-carboxamide has a molecular weight of 374.41 g/mol, XLogP of 5.80, 4 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-[2-(trifluoromethyl)phenyl]indole-2-carboxamide is sourced from PubChem (CID 110501721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).