N-ethyl-N-(3-fluorophenyl)-1-benzothiophene-3-carboxamide

C17H14FNOS — CID 112817546

IUPACN-ethyl-N-(3-fluorophenyl)-1-benzothiophene-3-carboxamide
SMILESCCN(C(=O)c1csc2ccccc12)c1cccc(F)c1
InChIInChI=1S/C17H14FNOS/c1-2-19(13-7-5-6-12(18)10-13)17(20)15-11-21-16-9-4-3-8-14(15)16/h3-11H,2H2,1H3
InChIKeyAOTCHZNXRXIPSX-UHFFFAOYSA-N
MW299.37 g/mol
LogP4.71
Rot. Bonds3

About N-ethyl-N-(3-fluorophenyl)-1-benzothiophene-3-carboxamide

N-ethyl-N-(3-fluorophenyl)-1-benzothiophene-3-carboxamide (PubChem CID 112817546) has the molecular formula C17H14FNOS and a molecular weight of 299.37 g/mol. Its IUPAC name is N-ethyl-N-(3-fluorophenyl)-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(3-fluorophenyl)-1-benzothiophene-3-carboxamide
PubChem CID112817546
Molecular FormulaC17H14FNOS
Molecular Weight299.37 g/mol
Exact Mass299.08
IUPAC NameN-ethyl-N-(3-fluorophenyl)-1-benzothiophene-3-carboxamide
SMILESCCN(C(=O)c1csc2ccccc12)c1cccc(F)c1
InChIInChI=1S/C17H14FNOS/c1-2-19(13-7-5-6-12(18)10-13)17(20)15-11-21-16-9-4-3-8-14(15)16/h3-11H,2H2,1H3
InChIKeyAOTCHZNXRXIPSX-UHFFFAOYSA-N
XLogP4.71
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-fluoro-N-(3-fluorophenyl)-4-methylbenzamide
CID 79769914
5-(3-aminoprop-1-ynyl)-N-ethyl-N-(3-fluorophenyl)thiophene-3-carboxamide
CID 79691709
N-ethyl-N-(3-fluorophenyl)-2,4-dihydroxy-5-propan-2-ylbenzamide
CID 146316508
3-chloro-N-ethyl-N-(3-fluorophenyl)pyridine-4-carboxamide
CID 66482587
N-ethyl-N-(3-fluorophenyl)-3,4-dihydroxybenzamide
CID 103956480
5-chloro-N-ethyl-N-(3-fluorophenyl)-2-(methylamino)benzamide
CID 62179424
1-(1-benzothiophen-3-yl)ethanone;N,N-dimethylethanamine
CID 142071955
N-ethyl-N-(3-hydroxypropyl)-1-benzothiophene-3-carboxamide
CID 115771813
N-ethyl-4-fluoro-N-(3-fluorophenyl)-3-methylbenzamide
CID 63213412
6-amino-N-ethyl-N-(3-fluorophenyl)pyridine-2-carboxamide
CID 62238970
N-ethyl-4-fluoro-2-methyl-N-(3-methylphenyl)benzamide
CID 115745612
3-bromo-N-ethyl-4-fluoro-N-(3-fluorophenyl)benzamide
CID 103706763

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(3-fluorophenyl)-1-benzothiophene-3-carboxamide?
The IUPAC name of N-ethyl-N-(3-fluorophenyl)-1-benzothiophene-3-carboxamide (CID 112817546) is N-ethyl-N-(3-fluorophenyl)-1-benzothiophene-3-carboxamide.
What is the SMILES notation for N-ethyl-N-(3-fluorophenyl)-1-benzothiophene-3-carboxamide?
The canonical SMILES for N-ethyl-N-(3-fluorophenyl)-1-benzothiophene-3-carboxamide is CCN(C(=O)c1csc2ccccc12)c1cccc(F)c1.
What is the InChIKey of N-ethyl-N-(3-fluorophenyl)-1-benzothiophene-3-carboxamide?
The InChIKey is AOTCHZNXRXIPSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNOS/c1-2-19(13-7-5-6-12(18)10-13)17(20)15-11-21-16-9-4-3-8-14(15)16/h3-11H,2H2,1H3.
What are the key properties of N-ethyl-N-(3-fluorophenyl)-1-benzothiophene-3-carboxamide?
N-ethyl-N-(3-fluorophenyl)-1-benzothiophene-3-carboxamide has a molecular weight of 299.37 g/mol, XLogP of 4.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(3-fluorophenyl)-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 112817546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).