N-[2-(1-benzothiophen-3-yl)ethyl]-4-fluorobenzamide

C17H14FNOS — CID 87005596

IUPACN-[2-(1-benzothiophen-3-yl)ethyl]-4-fluorobenzamide
SMILESO=C(NCCc1csc2ccccc12)c1ccc(F)cc1
InChIInChI=1S/C17H14FNOS/c18-14-7-5-12(6-8-14)17(20)19-10-9-13-11-21-16-4-2-1-3-15(13)16/h1-8,11H,9-10H2,(H,19,20)
InChIKeyLZQYCFOWZYJYDL-UHFFFAOYSA-N
MW299.37 g/mol
LogP4.01
Rot. Bonds4

About N-[2-(1-benzothiophen-3-yl)ethyl]-4-fluorobenzamide

N-[2-(1-benzothiophen-3-yl)ethyl]-4-fluorobenzamide (PubChem CID 87005596) has the molecular formula C17H14FNOS and a molecular weight of 299.37 g/mol. Its IUPAC name is N-[2-(1-benzothiophen-3-yl)ethyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[2-(1-benzothiophen-3-yl)ethyl]-4-fluorobenzamide
PubChem CID87005596
Molecular FormulaC17H14FNOS
Molecular Weight299.37 g/mol
Exact Mass299.08
IUPAC NameN-[2-(1-benzothiophen-3-yl)ethyl]-4-fluorobenzamide
SMILESO=C(NCCc1csc2ccccc12)c1ccc(F)cc1
InChIInChI=1S/C17H14FNOS/c18-14-7-5-12(6-8-14)17(20)19-10-9-13-11-21-16-4-2-1-3-15(13)16/h1-8,11H,9-10H2,(H,19,20)
InChIKeyLZQYCFOWZYJYDL-UHFFFAOYSA-N
XLogP4.01
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[2-(1-benzothiophen-3-yl)ethyl]-4-fluorobenzamide 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

methyl 4-[2-(1-benzothiophen-3-yl)ethylcarbamoyl]benzoate
CID 87005569
N-[2-(1-benzothiophen-3-yl)ethyl]-4-(difluoromethoxy)benzamide
CID 112837108
N-[2-(1-benzothiophen-3-yl)ethyl]-6-methylsulfanylpyridine-3-carboxamide
CID 86885243
N-[2-(1-benzothiophen-3-yl)ethyl]-2,3,4,5-tetrafluorobenzamide
CID 112837021
N-[2-(1-benzothiophen-3-yl)ethyl]-2-hydroxybenzamide;methane
CID 161370454
N-[2-(1-benzothiophen-3-yl)ethyl]-2-chloro-4,5-difluorobenzamide
CID 87005686
N-[2-(1-benzothiophen-3-yl)ethyl]-4-(4-fluorophenoxy)butanamide
CID 112837134
N-[2-(1-benzothiophen-3-yl)ethyl]-5-bromo-2-fluorobenzamide
CID 112836987
N-[2-(1-benzothiophen-3-yl)ethyl]-3-(2-fluorophenoxy)propanamide
CID 87005696
N-[2-(1-benzothiophen-3-yl)ethyl]-1-cyanoformamide
CID 115172576
N-[2-(1-benzothiophen-3-yl)ethyl]-3-hydroxypropanamide
CID 115139367
N-[2-(1-benzothiophen-3-yl)ethyl]-2-hydroxy-3-methoxybenzamide
CID 87005563

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzothiophen-3-yl)ethyl]-4-fluorobenzamide?
The IUPAC name of N-[2-(1-benzothiophen-3-yl)ethyl]-4-fluorobenzamide (CID 87005596) is N-[2-(1-benzothiophen-3-yl)ethyl]-4-fluorobenzamide.
What is the SMILES notation for N-[2-(1-benzothiophen-3-yl)ethyl]-4-fluorobenzamide?
The canonical SMILES for N-[2-(1-benzothiophen-3-yl)ethyl]-4-fluorobenzamide is O=C(NCCc1csc2ccccc12)c1ccc(F)cc1.
What is the InChIKey of N-[2-(1-benzothiophen-3-yl)ethyl]-4-fluorobenzamide?
The InChIKey is LZQYCFOWZYJYDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNOS/c18-14-7-5-12(6-8-14)17(20)19-10-9-13-11-21-16-4-2-1-3-15(13)16/h1-8,11H,9-10H2,(H,19,20).
What are the key properties of N-[2-(1-benzothiophen-3-yl)ethyl]-4-fluorobenzamide?
N-[2-(1-benzothiophen-3-yl)ethyl]-4-fluorobenzamide has a molecular weight of 299.37 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzothiophen-3-yl)ethyl]-4-fluorobenzamide is sourced from PubChem (CID 87005596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).