N-[2-(1-benzothiophen-3-yl)ethyl]-2,3,4,5-tetrafluorobenzamide

C17H11F4NOS — CID 112837021

IUPACN-[2-(1-benzothiophen-3-yl)ethyl]-2,3,4,5-tetrafluorobenzamide
SMILESO=C(NCCc1csc2ccccc12)c1cc(F)c(F)c(F)c1F
InChIInChI=1S/C17H11F4NOS/c18-12-7-11(14(19)16(21)15(12)20)17(23)22-6-5-9-8-24-13-4-2-1-3-10(9)13/h1-4,7-8H,5-6H2,(H,22,23)
InChIKeyHDYNMYHNORSCID-UHFFFAOYSA-N
MW353.34 g/mol
LogP4.43
Rot. Bonds4

About N-[2-(1-benzothiophen-3-yl)ethyl]-2,3,4,5-tetrafluorobenzamide

N-[2-(1-benzothiophen-3-yl)ethyl]-2,3,4,5-tetrafluorobenzamide (PubChem CID 112837021) has the molecular formula C17H11F4NOS and a molecular weight of 353.34 g/mol. Its IUPAC name is N-[2-(1-benzothiophen-3-yl)ethyl]-2,3,4,5-tetrafluorobenzamide.

Molecular Properties

Compound NameN-[2-(1-benzothiophen-3-yl)ethyl]-2,3,4,5-tetrafluorobenzamide
PubChem CID112837021
Molecular FormulaC17H11F4NOS
Molecular Weight353.34 g/mol
Exact Mass353.05
IUPAC NameN-[2-(1-benzothiophen-3-yl)ethyl]-2,3,4,5-tetrafluorobenzamide
SMILESO=C(NCCc1csc2ccccc12)c1cc(F)c(F)c(F)c1F
InChIInChI=1S/C17H11F4NOS/c18-12-7-11(14(19)16(21)15(12)20)17(23)22-6-5-9-8-24-13-4-2-1-3-10(9)13/h1-4,7-8H,5-6H2,(H,22,23)
InChIKeyHDYNMYHNORSCID-UHFFFAOYSA-N
XLogP4.43
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.34
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-[2-(1-benzothiophen-3-yl)ethyl]-2-chloro-4,5-difluorobenzamide
CID 87005686
N-[2-(1-benzothiophen-3-yl)ethyl]-5-bromo-2-fluorobenzamide
CID 112836987
N-[2-(1-benzothiophen-3-yl)ethyl]-2-hydroxybenzamide;methane
CID 161370454
N-[2-(1-benzothiophen-3-yl)ethyl]-4-fluorobenzamide
CID 87005596
methyl 4-[2-(1-benzothiophen-3-yl)ethylcarbamoyl]benzoate
CID 87005569
N-[2-(1-benzothiophen-3-yl)ethyl]-2-hydroxy-3-methoxybenzamide
CID 87005563
methyl 5-[2-(1-benzothiophen-3-yl)ethylcarbamoyl]thiophene-2-carboxylate
CID 87020534
N-[2-(1-benzothiophen-3-yl)ethyl]-3-(2-fluorophenoxy)propanamide
CID 87005696
2-(1-benzothiophen-3-yl)-1-(2,3,4-trifluorophenyl)ethanone
CID 114965639
N-[2-(1-benzothiophen-3-yl)ethyl]-3-hydroxypropanamide
CID 115139367
N-[2-(1-benzothiophen-3-yl)ethyl]-1-cyanoformamide
CID 115172576
N-[2-(1-benzothiophen-3-yl)ethyl]-4-(difluoromethoxy)benzamide
CID 112837108

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzothiophen-3-yl)ethyl]-2,3,4,5-tetrafluorobenzamide?
The IUPAC name of N-[2-(1-benzothiophen-3-yl)ethyl]-2,3,4,5-tetrafluorobenzamide (CID 112837021) is N-[2-(1-benzothiophen-3-yl)ethyl]-2,3,4,5-tetrafluorobenzamide.
What is the SMILES notation for N-[2-(1-benzothiophen-3-yl)ethyl]-2,3,4,5-tetrafluorobenzamide?
The canonical SMILES for N-[2-(1-benzothiophen-3-yl)ethyl]-2,3,4,5-tetrafluorobenzamide is O=C(NCCc1csc2ccccc12)c1cc(F)c(F)c(F)c1F.
What is the InChIKey of N-[2-(1-benzothiophen-3-yl)ethyl]-2,3,4,5-tetrafluorobenzamide?
The InChIKey is HDYNMYHNORSCID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F4NOS/c18-12-7-11(14(19)16(21)15(12)20)17(23)22-6-5-9-8-24-13-4-2-1-3-10(9)13/h1-4,7-8H,5-6H2,(H,22,23).
What are the key properties of N-[2-(1-benzothiophen-3-yl)ethyl]-2,3,4,5-tetrafluorobenzamide?
N-[2-(1-benzothiophen-3-yl)ethyl]-2,3,4,5-tetrafluorobenzamide has a molecular weight of 353.34 g/mol, XLogP of 4.43, 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]-2,3,4,5-tetrafluorobenzamide is sourced from PubChem (CID 112837021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).