5-amino-1-benzyl-N-[4-(trifluoromethyl)phenyl]indole-2-carboxamide

C23H18F3N3O — CID 42808752

IUPAC5-amino-1-benzyl-N-[4-(trifluoromethyl)phenyl]indole-2-carboxamide
SMILESNc1ccc2c(c1)cc(C(=O)Nc1ccc(C(F)(F)F)cc1)n2Cc1ccccc1
InChIInChI=1S/C23H18F3N3O/c24-23(25,26)17-6-9-19(10-7-17)28-22(30)21-13-16-12-18(27)8-11-20(16)29(21)14-15-4-2-1-3-5-15/h1-13H,14,27H2,(H,28,30)
InChIKeyPLSLRSDMEIQZMA-UHFFFAOYSA-N
MW409.41 g/mol
LogP5.54
Rot. Bonds4

About 5-amino-1-benzyl-N-[4-(trifluoromethyl)phenyl]indole-2-carboxamide

5-amino-1-benzyl-N-[4-(trifluoromethyl)phenyl]indole-2-carboxamide (PubChem CID 42808752) has the molecular formula C23H18F3N3O and a molecular weight of 409.41 g/mol. Its IUPAC name is 5-amino-1-benzyl-N-[4-(trifluoromethyl)phenyl]indole-2-carboxamide.

Molecular Properties

Compound Name5-amino-1-benzyl-N-[4-(trifluoromethyl)phenyl]indole-2-carboxamide
PubChem CID42808752
Molecular FormulaC23H18F3N3O
Molecular Weight409.41 g/mol
Exact Mass409.14
IUPAC Name5-amino-1-benzyl-N-[4-(trifluoromethyl)phenyl]indole-2-carboxamide
SMILESNc1ccc2c(c1)cc(C(=O)Nc1ccc(C(F)(F)F)cc1)n2Cc1ccccc1
InChIInChI=1S/C23H18F3N3O/c24-23(25,26)17-6-9-19(10-7-17)28-22(30)21-13-16-12-18(27)8-11-20(16)29(21)14-15-4-2-1-3-5-15/h1-13H,14,27H2,(H,28,30)
InChIKeyPLSLRSDMEIQZMA-UHFFFAOYSA-N
XLogP5.54
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.41
LogP ≤ 55.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-1-[(4-tert-butylphenyl)methyl]-N-phenylindole-2-carboxamide
CID 42808855
N-benzyl-5-(thiophene-2-carbonylamino)-1-[[4-(trifluoromethyl)phenyl]methyl]indole-2-carboxamide
CID 83289579
5-amino-1-[(3-fluorophenyl)methyl]-N-(1-methylindol-5-yl)indole-2-carboxamide
CID 69130889
N-(4-aminophenyl)-5-(3,3-dimethylbutanoylamino)-1-[[2-(trifluoromethyl)phenyl]methyl]indole-2-carboxamide
CID 23573441
S-[4-[(1-benzylindole-2-carbonyl)amino]phenyl] N,N-dimethylcarbamothioate
CID 56544298
5-amino-N-[[1-(hydroxymethyl)cyclobutyl]methyl]-1-[[3-(trifluoromethoxy)phenyl]methyl]indole-2-carboxamide
CID 89319443
5-(furan-2-carbonylamino)-1-[(3-methylphenyl)methyl]-N-phenylindole-2-carboxamide
CID 91635435
(5-amino-1-benzylindol-2-yl)-(4-ethylpiperazin-1-yl)methanone
CID 42806101
2-(3-aminophenyl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 28712241
4-amino-1-ethyl-N-[4-(trifluoromethyl)phenyl]pyrrole-2-carboxamide
CID 43642862
1-[(4-aminophenyl)methyl]indole-2-carboxylic acid;2,2,2-trifluoroacetamide
CID 161133236
N-[(E)-1-(4-aminophenyl)ethylideneamino]-1-benzylindole-2-carboxamide
CID 27876412

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-benzyl-N-[4-(trifluoromethyl)phenyl]indole-2-carboxamide?
The IUPAC name of 5-amino-1-benzyl-N-[4-(trifluoromethyl)phenyl]indole-2-carboxamide (CID 42808752) is 5-amino-1-benzyl-N-[4-(trifluoromethyl)phenyl]indole-2-carboxamide.
What is the SMILES notation for 5-amino-1-benzyl-N-[4-(trifluoromethyl)phenyl]indole-2-carboxamide?
The canonical SMILES for 5-amino-1-benzyl-N-[4-(trifluoromethyl)phenyl]indole-2-carboxamide is Nc1ccc2c(c1)cc(C(=O)Nc1ccc(C(F)(F)F)cc1)n2Cc1ccccc1.
What is the InChIKey of 5-amino-1-benzyl-N-[4-(trifluoromethyl)phenyl]indole-2-carboxamide?
The InChIKey is PLSLRSDMEIQZMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F3N3O/c24-23(25,26)17-6-9-19(10-7-17)28-22(30)21-13-16-12-18(27)8-11-20(16)29(21)14-15-4-2-1-3-5-15/h1-13H,14,27H2,(H,28,30).
What are the key properties of 5-amino-1-benzyl-N-[4-(trifluoromethyl)phenyl]indole-2-carboxamide?
5-amino-1-benzyl-N-[4-(trifluoromethyl)phenyl]indole-2-carboxamide has a molecular weight of 409.41 g/mol, XLogP of 5.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-benzyl-N-[4-(trifluoromethyl)phenyl]indole-2-carboxamide is sourced from PubChem (CID 42808752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).