4-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzothiophen-7-yl]benzamide

C23H16F3NOS — CID 59193845

IUPAC4-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzothiophen-7-yl]benzamide
SMILESNC(=O)c1ccc(-c2cccc3cc(Cc4cccc(C(F)(F)F)c4)sc23)cc1
InChIInChI=1S/C23H16F3NOS/c24-23(25,26)18-5-1-3-14(11-18)12-19-13-17-4-2-6-20(21(17)29-19)15-7-9-16(10-8-15)22(27)28/h1-11,13H,12H2,(H2,27,28)
InChIKeyCIBPGNFLLYRPJK-UHFFFAOYSA-N
MW411.45 g/mol
LogP6.28
Rot. Bonds4

About 4-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzothiophen-7-yl]benzamide

4-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzothiophen-7-yl]benzamide (PubChem CID 59193845) has the molecular formula C23H16F3NOS and a molecular weight of 411.45 g/mol. Its IUPAC name is 4-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzothiophen-7-yl]benzamide.

Molecular Properties

Compound Name4-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzothiophen-7-yl]benzamide
PubChem CID59193845
Molecular FormulaC23H16F3NOS
Molecular Weight411.45 g/mol
Exact Mass411.09
IUPAC Name4-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzothiophen-7-yl]benzamide
SMILESNC(=O)c1ccc(-c2cccc3cc(Cc4cccc(C(F)(F)F)c4)sc23)cc1
InChIInChI=1S/C23H16F3NOS/c24-23(25,26)18-5-1-3-14(11-18)12-19-13-17-4-2-6-20(21(17)29-19)15-7-9-16(10-8-15)22(27)28/h1-11,13H,12H2,(H2,27,28)
InChIKeyCIBPGNFLLYRPJK-UHFFFAOYSA-N
XLogP6.28
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.45
LogP ≤ 56.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzothiophen-7-yl]benzamide 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 4-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzothiophen-7-yl]benzamide?
The IUPAC name of 4-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzothiophen-7-yl]benzamide (CID 59193845) is 4-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzothiophen-7-yl]benzamide.
What is the SMILES notation for 4-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzothiophen-7-yl]benzamide?
The canonical SMILES for 4-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzothiophen-7-yl]benzamide is NC(=O)c1ccc(-c2cccc3cc(Cc4cccc(C(F)(F)F)c4)sc23)cc1.
What is the InChIKey of 4-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzothiophen-7-yl]benzamide?
The InChIKey is CIBPGNFLLYRPJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F3NOS/c24-23(25,26)18-5-1-3-14(11-18)12-19-13-17-4-2-6-20(21(17)29-19)15-7-9-16(10-8-15)22(27)28/h1-11,13H,12H2,(H2,27,28).
What are the key properties of 4-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzothiophen-7-yl]benzamide?
4-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzothiophen-7-yl]benzamide has a molecular weight of 411.45 g/mol, XLogP of 6.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzothiophen-7-yl]benzamide is sourced from PubChem (CID 59193845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).