N-[2-(1-benzothiophen-3-yl)ethyl]-5-bromo-2-fluorobenzamide

C17H13BrFNOS — CID 112836987

IUPACN-[2-(1-benzothiophen-3-yl)ethyl]-5-bromo-2-fluorobenzamide
SMILESO=C(NCCc1csc2ccccc12)c1cc(Br)ccc1F
InChIInChI=1S/C17H13BrFNOS/c18-12-5-6-15(19)14(9-12)17(21)20-8-7-11-10-22-16-4-2-1-3-13(11)16/h1-6,9-10H,7-8H2,(H,20,21)
InChIKeyVLVCPBZIVTWZQL-UHFFFAOYSA-N
MW378.27 g/mol
LogP4.78
Rot. Bonds4

About N-[2-(1-benzothiophen-3-yl)ethyl]-5-bromo-2-fluorobenzamide

N-[2-(1-benzothiophen-3-yl)ethyl]-5-bromo-2-fluorobenzamide (PubChem CID 112836987) has the molecular formula C17H13BrFNOS and a molecular weight of 378.27 g/mol. Its IUPAC name is N-[2-(1-benzothiophen-3-yl)ethyl]-5-bromo-2-fluorobenzamide.

Molecular Properties

Compound NameN-[2-(1-benzothiophen-3-yl)ethyl]-5-bromo-2-fluorobenzamide
PubChem CID112836987
Molecular FormulaC17H13BrFNOS
Molecular Weight378.27 g/mol
Exact Mass376.99
IUPAC NameN-[2-(1-benzothiophen-3-yl)ethyl]-5-bromo-2-fluorobenzamide
SMILESO=C(NCCc1csc2ccccc12)c1cc(Br)ccc1F
InChIInChI=1S/C17H13BrFNOS/c18-12-5-6-15(19)14(9-12)17(21)20-8-7-11-10-22-16-4-2-1-3-13(11)16/h1-6,9-10H,7-8H2,(H,20,21)
InChIKeyVLVCPBZIVTWZQL-UHFFFAOYSA-N
XLogP4.78
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.27
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-2-fluoro-N-[2-(2-fluorophenyl)ethyl]benzamide
CID 24694264
N-[2-(1-benzothiophen-3-yl)ethyl]-2,3,4,5-tetrafluorobenzamide
CID 112837021
N-[2-(1-benzothiophen-3-yl)ethyl]-2-chloro-4,5-difluorobenzamide
CID 87005686
N-[2-(1-benzothiophen-3-yl)ethyl]-2-hydroxybenzamide;methane
CID 161370454
N-[2-(1-benzothiophen-3-yl)ethyl]-4-fluorobenzamide
CID 87005596
5-bromo-N-[2-(2-fluorophenyl)ethyl]-2-iodobenzamide
CID 35613683
N-[2-(1-benzothiophen-3-yl)ethyl]-2-hydroxy-3-methoxybenzamide
CID 87005563
N-[3-(1,3-benzothiazol-2-yl)propyl]-5-bromo-2-fluorobenzamide
CID 46426520
2-[2-(1-benzothiophen-3-yl)ethylcarbamoylamino]-N-(4-bromo-2-methylphenyl)acetamide
CID 112831829
N-[2-(5-bromo-1-benzothiophen-3-yl)ethyl]-2,2,2-trifluoroacetamide
CID 11725534
N-[2-(1-benzothiophen-3-yl)ethyl]-3-(2-fluorophenoxy)propanamide
CID 87005696
5-bromo-2-fluoro-N-(2-phenoxyethyl)benzamide
CID 17431359

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzothiophen-3-yl)ethyl]-5-bromo-2-fluorobenzamide?
The IUPAC name of N-[2-(1-benzothiophen-3-yl)ethyl]-5-bromo-2-fluorobenzamide (CID 112836987) is N-[2-(1-benzothiophen-3-yl)ethyl]-5-bromo-2-fluorobenzamide.
What is the SMILES notation for N-[2-(1-benzothiophen-3-yl)ethyl]-5-bromo-2-fluorobenzamide?
The canonical SMILES for N-[2-(1-benzothiophen-3-yl)ethyl]-5-bromo-2-fluorobenzamide is O=C(NCCc1csc2ccccc12)c1cc(Br)ccc1F.
What is the InChIKey of N-[2-(1-benzothiophen-3-yl)ethyl]-5-bromo-2-fluorobenzamide?
The InChIKey is VLVCPBZIVTWZQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrFNOS/c18-12-5-6-15(19)14(9-12)17(21)20-8-7-11-10-22-16-4-2-1-3-13(11)16/h1-6,9-10H,7-8H2,(H,20,21).
What are the key properties of N-[2-(1-benzothiophen-3-yl)ethyl]-5-bromo-2-fluorobenzamide?
N-[2-(1-benzothiophen-3-yl)ethyl]-5-bromo-2-fluorobenzamide has a molecular weight of 378.27 g/mol, XLogP of 4.78, 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]-5-bromo-2-fluorobenzamide is sourced from PubChem (CID 112836987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).