2-(4-fluoro-1-benzothiophen-3-yl)-N,N-dimethylacetamide

C12H12FNOS — CID 176716330

IUPAC2-(4-fluoro-1-benzothiophen-3-yl)-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cc1csc2cccc(F)c12
InChIInChI=1S/C12H12FNOS/c1-14(2)11(15)6-8-7-16-10-5-3-4-9(13)12(8)10/h3-5,7H,6H2,1-2H3
InChIKeyJTZHMIDDAJSNHC-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.67
Rot. Bonds2

About 2-(4-fluoro-1-benzothiophen-3-yl)-N,N-dimethylacetamide

2-(4-fluoro-1-benzothiophen-3-yl)-N,N-dimethylacetamide (PubChem CID 176716330) has the molecular formula C12H12FNOS and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-(4-fluoro-1-benzothiophen-3-yl)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(4-fluoro-1-benzothiophen-3-yl)-N,N-dimethylacetamide
PubChem CID176716330
Molecular FormulaC12H12FNOS
Molecular Weight237.30 g/mol
Exact Mass237.06
IUPAC Name2-(4-fluoro-1-benzothiophen-3-yl)-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cc1csc2cccc(F)c12
InChIInChI=1S/C12H12FNOS/c1-14(2)11(15)6-8-7-16-10-5-3-4-9(13)12(8)10/h3-5,7H,6H2,1-2H3
InChIKeyJTZHMIDDAJSNHC-UHFFFAOYSA-N
XLogP2.67
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-(5-fluorobenzo[b]thiophen-3-yl)ethyl)acetamide
CID 53231465
N-methyl-2-(5-methyl-1-benzothiophen-3-yl)acetamide
CID 2824093
cis-(1R,2R)-2-(aminomethyl)-N,N-diethyl-1-(5-fluoro-1-benzothiophen-2-yl)cyclopropane-1-carboxamide
CID 44448509
2-Benzo[b]thiophen-2-yl-N-hydroxy-N-methyl-propionamide
CID 10847360
2-(1-benzothiophen-3-yl)-N-[(4-fluorophenyl)methyl]acetamide
CID 16011871
2-(1-benzothiophen-3-yl)-N-(cyclopropylmethyl)acetamide
CID 342599
Benzo[b]thiophene-3-acetamide
CID 268631
2-(1-benzothiophen-3-yl)-N-[(2-fluorophenyl)methyl]acetamide
CID 16011867
AQ 1989
CID 65537
N,N-dimethyl-2-(3-methyl-1-benzothiophen-2-yl)acetamide
CID 2824091
1-(1-Benzothiophen-3-yl)-2-(diethylamino)ethanone
CID 821791
3-(2-Acetylaminoethyl)benzo[b]thiophene
CID 10798921

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-1-benzothiophen-3-yl)-N,N-dimethylacetamide?
The IUPAC name of 2-(4-fluoro-1-benzothiophen-3-yl)-N,N-dimethylacetamide (CID 176716330) is 2-(4-fluoro-1-benzothiophen-3-yl)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(4-fluoro-1-benzothiophen-3-yl)-N,N-dimethylacetamide?
The canonical SMILES for 2-(4-fluoro-1-benzothiophen-3-yl)-N,N-dimethylacetamide is CN(C)C(=O)Cc1csc2cccc(F)c12.
What is the InChIKey of 2-(4-fluoro-1-benzothiophen-3-yl)-N,N-dimethylacetamide?
The InChIKey is JTZHMIDDAJSNHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNOS/c1-14(2)11(15)6-8-7-16-10-5-3-4-9(13)12(8)10/h3-5,7H,6H2,1-2H3.
What are the key properties of 2-(4-fluoro-1-benzothiophen-3-yl)-N,N-dimethylacetamide?
2-(4-fluoro-1-benzothiophen-3-yl)-N,N-dimethylacetamide has a molecular weight of 237.30 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-1-benzothiophen-3-yl)-N,N-dimethylacetamide is sourced from PubChem (CID 176716330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).