N-[(5-fluoro-1-benzothiophen-2-yl)methyl]acetamide

C11H10FNOS — CID 135200245

IUPACN-[(5-fluoro-1-benzothiophen-2-yl)methyl]acetamide
SMILESCC(=O)NCc1cc2cc(F)ccc2s1
InChIInChI=1S/C11H10FNOS/c1-7(14)13-6-10-5-8-4-9(12)2-3-11(8)15-10/h2-5H,6H2,1H3,(H,13,14)
InChIKeyIXAPEBQVGRLEHN-UHFFFAOYSA-N
MW223.27 g/mol
LogP2.68
Rot. Bonds2

About N-[(5-fluoro-1-benzothiophen-2-yl)methyl]acetamide

N-[(5-fluoro-1-benzothiophen-2-yl)methyl]acetamide (PubChem CID 135200245) has the molecular formula C11H10FNOS and a molecular weight of 223.27 g/mol. Its IUPAC name is N-[(5-fluoro-1-benzothiophen-2-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(5-fluoro-1-benzothiophen-2-yl)methyl]acetamide
PubChem CID135200245
Molecular FormulaC11H10FNOS
Molecular Weight223.27 g/mol
Exact Mass223.05
IUPAC NameN-[(5-fluoro-1-benzothiophen-2-yl)methyl]acetamide
SMILESCC(=O)NCc1cc2cc(F)ccc2s1
InChIInChI=1S/C11H10FNOS/c1-7(14)13-6-10-5-8-4-9(12)2-3-11(8)15-10/h2-5H,6H2,1H3,(H,13,14)
InChIKeyIXAPEBQVGRLEHN-UHFFFAOYSA-N
XLogP2.68
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-fluorophenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 1817785
N-(2-(5-fluoro-2-(4-fluorophenylthio)benzo[b]thiophen-3-yl)ethyl)propionamide
CID 11463056
N-(2-(5-fluoro-2-(4-fluorophenylthio)benzo[b]thiophen-3-yl)ethyl)acetamide
CID 53231366
2(1H)-Pyridinone, 3-((benzo(b)thien-2-ylmethyl)amino)-5-ethyl-6-methyl-
CID 454387
AANAT Inhibitor, 8h
CID 57340189
S22153
CID 9816339
N-(2-(5-fluoro-2-(4-fluorophenylthio)benzo[b]thiophen-3-yl)ethyl)but-3-enamide
CID 52953165
N-(2-(5-fluorobenzo[b]thiophen-3-yl)ethyl)acetamide
CID 53231465
N-[2-(4-fluorophenyl)ethyl]-5-methyl-2-thiophenecarboxamide
CID 1247475
N-[(2-fluorophenyl)methyl]-2-thiophen-3-ylacetamide
CID 8013080
Thionaphthene, 2-[1-aminoacetamino-1-cyclohexyl]-
CID 398394
1-(Benzo[b]thiophen-2-yl)-N-methylmethanamine
CID 693141

Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-1-benzothiophen-2-yl)methyl]acetamide?
The IUPAC name of N-[(5-fluoro-1-benzothiophen-2-yl)methyl]acetamide (CID 135200245) is N-[(5-fluoro-1-benzothiophen-2-yl)methyl]acetamide.
What is the SMILES notation for N-[(5-fluoro-1-benzothiophen-2-yl)methyl]acetamide?
The canonical SMILES for N-[(5-fluoro-1-benzothiophen-2-yl)methyl]acetamide is CC(=O)NCc1cc2cc(F)ccc2s1.
What is the InChIKey of N-[(5-fluoro-1-benzothiophen-2-yl)methyl]acetamide?
The InChIKey is IXAPEBQVGRLEHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNOS/c1-7(14)13-6-10-5-8-4-9(12)2-3-11(8)15-10/h2-5H,6H2,1H3,(H,13,14).
What are the key properties of N-[(5-fluoro-1-benzothiophen-2-yl)methyl]acetamide?
N-[(5-fluoro-1-benzothiophen-2-yl)methyl]acetamide has a molecular weight of 223.27 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-1-benzothiophen-2-yl)methyl]acetamide is sourced from PubChem (CID 135200245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).