3-[2-[(3-chloro-5-fluorophenyl)methyl]-1-benzothiophen-7-yl]-N-(2-oxopropyl)benzamide

C25H19ClFNO2S — CID 91193433

IUPAC3-[2-[(3-chloro-5-fluorophenyl)methyl]-1-benzothiophen-7-yl]-N-(2-oxopropyl)benzamide
SMILESCC(=O)CNC(=O)c1cccc(-c2cccc3cc(Cc4cc(F)cc(Cl)c4)sc23)c1
InChIInChI=1S/C25H19ClFNO2S/c1-15(29)14-28-25(30)19-6-2-4-17(11-19)23-7-3-5-18-12-22(31-24(18)23)10-16-8-20(26)13-21(27)9-16/h2-9,11-13H,10,14H2,1H3,(H,28,30)
InChIKeyDFVTTYAKTOJELR-UHFFFAOYSA-N
MW451.95 g/mol
LogP6.27
Rot. Bonds6

About 3-[2-[(3-chloro-5-fluorophenyl)methyl]-1-benzothiophen-7-yl]-N-(2-oxopropyl)benzamide

3-[2-[(3-chloro-5-fluorophenyl)methyl]-1-benzothiophen-7-yl]-N-(2-oxopropyl)benzamide (PubChem CID 91193433) has the molecular formula C25H19ClFNO2S and a molecular weight of 451.95 g/mol. Its IUPAC name is 3-[2-[(3-chloro-5-fluorophenyl)methyl]-1-benzothiophen-7-yl]-N-(2-oxopropyl)benzamide.

Molecular Properties

Compound Name3-[2-[(3-chloro-5-fluorophenyl)methyl]-1-benzothiophen-7-yl]-N-(2-oxopropyl)benzamide
PubChem CID91193433
Molecular FormulaC25H19ClFNO2S
Molecular Weight451.95 g/mol
Exact Mass451.08
IUPAC Name3-[2-[(3-chloro-5-fluorophenyl)methyl]-1-benzothiophen-7-yl]-N-(2-oxopropyl)benzamide
SMILESCC(=O)CNC(=O)c1cccc(-c2cccc3cc(Cc4cc(F)cc(Cl)c4)sc23)c1
InChIInChI=1S/C25H19ClFNO2S/c1-15(29)14-28-25(30)19-6-2-4-17(11-19)23-7-3-5-18-12-22(31-24(18)23)10-16-8-20(26)13-21(27)9-16/h2-9,11-13H,10,14H2,1H3,(H,28,30)
InChIKeyDFVTTYAKTOJELR-UHFFFAOYSA-N
XLogP6.27
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.95
LogP ≤ 56.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[2-[(3-chloro-5-fluorophenyl)methyl]-1-benzothiophen-7-yl]-N-(2-oxopropyl)benzamide with MolForge

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

Launch Full Analysis

Related Compounds

3-[2-[(3-chloro-5-fluorophenyl)methyl]-1-benzothiophen-7-yl]-N-(2-methoxy-2-methylpropyl)benzamide
CID 59193887
N-(2-amino-2-oxoethyl)-3-[2-[(3-chloro-5-fluorophenyl)methyl]-4-fluoro-1-benzothiophen-7-yl]benzamide
CID 59193861
3-[2-[(3-chloro-5-fluorophenyl)methyl]-4-fluoro-1-benzothiophen-7-yl]-N-(2-methoxyethyl)benzamide
CID 59193996
5-[2-[(3-chloro-5-fluorophenyl)methyl]-1-benzothiophen-7-yl]-2-fluoro-N-(2-methoxyethyl)benzamide
CID 59193846
N-(2-amino-2-oxoethyl)-3-[2-[(3-chloro-5-fluorophenoxy)methyl]-1-benzothiophen-7-yl]benzamide
CID 59193799
3-[2-[(3-chloro-4-fluorophenyl)methyl]-1-benzothiophen-7-yl]-N-(2-methoxyethyl)benzamide
CID 59193820
methyl 2-[[3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzothiophen-7-yl]benzoyl]amino]acetate
CID 59193803
N-(2-hydroxyethyl)-3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzothiophen-7-yl]benzamide
CID 59194084
3-[2-(bromomethyl)-1-benzothiophen-7-yl]-N-(2-methoxyethyl)benzamide;3-[2-[(4-chloro-3-fluorophenyl)methyl]-1-benzothiophen-7-yl]-N-(2-methoxyethyl)benzamide
CID 67190547
3-[2-[(5-chlorothiophen-2-yl)methyl]-1-benzothiophen-7-yl]-N-(2-methoxyethyl)benzamide
CID 59194101
3-[2-[(3-acetylphenyl)methyl]-1-benzothiophen-7-yl]benzoic acid
CID 67185361
N-(2-hydroxyethyl)-3-[2-[(6-oxo-1-propan-2-yl-3-pyridinyl)methyl]-1-benzothiophen-7-yl]benzamide
CID 59193765

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(3-chloro-5-fluorophenyl)methyl]-1-benzothiophen-7-yl]-N-(2-oxopropyl)benzamide?
The IUPAC name of 3-[2-[(3-chloro-5-fluorophenyl)methyl]-1-benzothiophen-7-yl]-N-(2-oxopropyl)benzamide (CID 91193433) is 3-[2-[(3-chloro-5-fluorophenyl)methyl]-1-benzothiophen-7-yl]-N-(2-oxopropyl)benzamide.
What is the SMILES notation for 3-[2-[(3-chloro-5-fluorophenyl)methyl]-1-benzothiophen-7-yl]-N-(2-oxopropyl)benzamide?
The canonical SMILES for 3-[2-[(3-chloro-5-fluorophenyl)methyl]-1-benzothiophen-7-yl]-N-(2-oxopropyl)benzamide is CC(=O)CNC(=O)c1cccc(-c2cccc3cc(Cc4cc(F)cc(Cl)c4)sc23)c1.
What is the InChIKey of 3-[2-[(3-chloro-5-fluorophenyl)methyl]-1-benzothiophen-7-yl]-N-(2-oxopropyl)benzamide?
The InChIKey is DFVTTYAKTOJELR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19ClFNO2S/c1-15(29)14-28-25(30)19-6-2-4-17(11-19)23-7-3-5-18-12-22(31-24(18)23)10-16-8-20(26)13-21(27)9-16/h2-9,11-13H,10,14H2,1H3,(H,28,30).
What are the key properties of 3-[2-[(3-chloro-5-fluorophenyl)methyl]-1-benzothiophen-7-yl]-N-(2-oxopropyl)benzamide?
3-[2-[(3-chloro-5-fluorophenyl)methyl]-1-benzothiophen-7-yl]-N-(2-oxopropyl)benzamide has a molecular weight of 451.95 g/mol, XLogP of 6.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(3-chloro-5-fluorophenyl)methyl]-1-benzothiophen-7-yl]-N-(2-oxopropyl)benzamide is sourced from PubChem (CID 91193433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).