3-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-3-yl]thiophene-2-carboxamide

C21H14ClF3N2OS — CID 118335438

IUPAC3-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-3-yl]thiophene-2-carboxamide
SMILESO=C(Nc1cn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12)c1sccc1Cl
InChIInChI=1S/C21H14ClF3N2OS/c22-16-9-10-29-19(16)20(28)26-17-12-27(18-4-2-1-3-15(17)18)11-13-5-7-14(8-6-13)21(23,24)25/h1-10,12H,11H2,(H,26,28)
InChIKeyJAFSHVTZHMLGRT-UHFFFAOYSA-N
MW434.87 g/mol
LogP6.68
Rot. Bonds4

About 3-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-3-yl]thiophene-2-carboxamide

3-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-3-yl]thiophene-2-carboxamide (PubChem CID 118335438) has the molecular formula C21H14ClF3N2OS and a molecular weight of 434.87 g/mol. Its IUPAC name is 3-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-3-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-3-yl]thiophene-2-carboxamide
PubChem CID118335438
Molecular FormulaC21H14ClF3N2OS
Molecular Weight434.87 g/mol
Exact Mass434.05
IUPAC Name3-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-3-yl]thiophene-2-carboxamide
SMILESO=C(Nc1cn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12)c1sccc1Cl
InChIInChI=1S/C21H14ClF3N2OS/c22-16-9-10-29-19(16)20(28)26-17-12-27(18-4-2-1-3-15(17)18)11-13-5-7-14(8-6-13)21(23,24)25/h1-10,12H,11H2,(H,26,28)
InChIKeyJAFSHVTZHMLGRT-UHFFFAOYSA-N
XLogP6.68
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.87
LogP ≤ 56.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-3-yl]thiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-3-yl]thiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-3-yl]thiophene-2-carboxamide (CID 118335438) is 3-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-3-yl]thiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-3-yl]thiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-3-yl]thiophene-2-carboxamide is O=C(Nc1cn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12)c1sccc1Cl.
What is the InChIKey of 3-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-3-yl]thiophene-2-carboxamide?
The InChIKey is JAFSHVTZHMLGRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClF3N2OS/c22-16-9-10-29-19(16)20(28)26-17-12-27(18-4-2-1-3-15(17)18)11-13-5-7-14(8-6-13)21(23,24)25/h1-10,12H,11H2,(H,26,28).
What are the key properties of 3-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-3-yl]thiophene-2-carboxamide?
3-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-3-yl]thiophene-2-carboxamide has a molecular weight of 434.87 g/mol, XLogP of 6.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-3-yl]thiophene-2-carboxamide is sourced from PubChem (CID 118335438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).