N-[1-(2-fluorophenyl)ethyl]-2,3-dihydro-1-benzothiophene-2-carboxamide

C17H16FNOS — CID 42931370

IUPACN-[1-(2-fluorophenyl)ethyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
SMILESCC(NC(=O)C1Cc2ccccc2S1)c1ccccc1F
InChIInChI=1S/C17H16FNOS/c1-11(13-7-3-4-8-14(13)18)19-17(20)16-10-12-6-2-5-9-15(12)21-16/h2-9,11,16H,10H2,1H3,(H,19,20)
InChIKeyBUKWQIKJHWRBKG-UHFFFAOYSA-N
MW301.39 g/mol
LogP3.72
Rot. Bonds3

About N-[1-(2-fluorophenyl)ethyl]-2,3-dihydro-1-benzothiophene-2-carboxamide

N-[1-(2-fluorophenyl)ethyl]-2,3-dihydro-1-benzothiophene-2-carboxamide (PubChem CID 42931370) has the molecular formula C17H16FNOS and a molecular weight of 301.39 g/mol. Its IUPAC name is N-[1-(2-fluorophenyl)ethyl]-2,3-dihydro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2-fluorophenyl)ethyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
PubChem CID42931370
Molecular FormulaC17H16FNOS
Molecular Weight301.39 g/mol
Exact Mass301.09
IUPAC NameN-[1-(2-fluorophenyl)ethyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
SMILESCC(NC(=O)C1Cc2ccccc2S1)c1ccccc1F
InChIInChI=1S/C17H16FNOS/c1-11(13-7-3-4-8-14(13)18)19-17(20)16-10-12-6-2-5-9-15(12)21-16/h2-9,11,16H,10H2,1H3,(H,19,20)
InChIKeyBUKWQIKJHWRBKG-UHFFFAOYSA-N
XLogP3.72
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluorophenyl)ethyl]-2,3-dihydro-1-benzothiophene-2-carboxamide?
The IUPAC name of N-[1-(2-fluorophenyl)ethyl]-2,3-dihydro-1-benzothiophene-2-carboxamide (CID 42931370) is N-[1-(2-fluorophenyl)ethyl]-2,3-dihydro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-[1-(2-fluorophenyl)ethyl]-2,3-dihydro-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-[1-(2-fluorophenyl)ethyl]-2,3-dihydro-1-benzothiophene-2-carboxamide is CC(NC(=O)C1Cc2ccccc2S1)c1ccccc1F.
What is the InChIKey of N-[1-(2-fluorophenyl)ethyl]-2,3-dihydro-1-benzothiophene-2-carboxamide?
The InChIKey is BUKWQIKJHWRBKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNOS/c1-11(13-7-3-4-8-14(13)18)19-17(20)16-10-12-6-2-5-9-15(12)21-16/h2-9,11,16H,10H2,1H3,(H,19,20).
What are the key properties of N-[1-(2-fluorophenyl)ethyl]-2,3-dihydro-1-benzothiophene-2-carboxamide?
N-[1-(2-fluorophenyl)ethyl]-2,3-dihydro-1-benzothiophene-2-carboxamide has a molecular weight of 301.39 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluorophenyl)ethyl]-2,3-dihydro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 42931370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).