6-fluoro-N-methyl-N-phenyl-1-benzothiophene-2-carboxamide

C16H12FNOS — CID 29199446

IUPAC6-fluoro-N-methyl-N-phenyl-1-benzothiophene-2-carboxamide
SMILESCN(C(=O)c1cc2ccc(F)cc2s1)c1ccccc1
InChIInChI=1S/C16H12FNOS/c1-18(13-5-3-2-4-6-13)16(19)15-9-11-7-8-12(17)10-14(11)20-15/h2-10H,1H3
InChIKeyNKJZLKLIZFSLDI-UHFFFAOYSA-N
MW285.34 g/mol
LogP4.32
Rot. Bonds2

About 6-fluoro-N-methyl-N-phenyl-1-benzothiophene-2-carboxamide

6-fluoro-N-methyl-N-phenyl-1-benzothiophene-2-carboxamide (PubChem CID 29199446) has the molecular formula C16H12FNOS and a molecular weight of 285.34 g/mol. Its IUPAC name is 6-fluoro-N-methyl-N-phenyl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-methyl-N-phenyl-1-benzothiophene-2-carboxamide
PubChem CID29199446
Molecular FormulaC16H12FNOS
Molecular Weight285.34 g/mol
Exact Mass285.06
IUPAC Name6-fluoro-N-methyl-N-phenyl-1-benzothiophene-2-carboxamide
SMILESCN(C(=O)c1cc2ccc(F)cc2s1)c1ccccc1
InChIInChI=1S/C16H12FNOS/c1-18(13-5-3-2-4-6-13)16(19)15-9-11-7-8-12(17)10-14(11)20-15/h2-10H,1H3
InChIKeyNKJZLKLIZFSLDI-UHFFFAOYSA-N
XLogP4.32
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-diethyl-6-fluoro-1-benzothiophene-2-carboxamide
CID 78911895
N-(2-chloroethyl)-6-fluoro-N-methyl-1-benzothiophene-2-carboxamide
CID 81104759
N-(cyanomethyl)-6-fluoro-N-methyl-1-benzothiophene-2-carboxamide
CID 78915934
6-fluoro-N-methyl-N-phenylquinoline-2-carboxamide
CID 110464478
1-(6-fluoro-1-benzothiophen-2-yl)-3-phenylpropan-1-one
CID 114962863
1-(6-fluoro-1-benzothiophen-2-yl)-2-methylbutan-1-one
CID 115788013
2-bromo-4-fluoro-N-methyl-N-phenylbenzamide
CID 24710295
6-fluoro-N-[(2-hydroxyphenyl)methyl]-1-benzothiophene-2-carboxamide
CID 115735462
1-(6-fluoro-1-benzothiophen-2-yl)prop-2-yn-1-one
CID 114978567
(2Z)-2-(6-fluoro-1-benzothiophen-2-yl)-2-methoxyiminoacetic acid
CID 88702899
N-(2-bromoethyl)-N-cyclobutyl-6-fluoro-1-benzothiophene-2-carboxamide
CID 102872984
N-(2-chloroethyl)-6-fluoro-N-(2,2,2-trifluoroethyl)-1-benzothiophene-2-carboxamide
CID 107491958

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-methyl-N-phenyl-1-benzothiophene-2-carboxamide?
The IUPAC name of 6-fluoro-N-methyl-N-phenyl-1-benzothiophene-2-carboxamide (CID 29199446) is 6-fluoro-N-methyl-N-phenyl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 6-fluoro-N-methyl-N-phenyl-1-benzothiophene-2-carboxamide?
The canonical SMILES for 6-fluoro-N-methyl-N-phenyl-1-benzothiophene-2-carboxamide is CN(C(=O)c1cc2ccc(F)cc2s1)c1ccccc1.
What is the InChIKey of 6-fluoro-N-methyl-N-phenyl-1-benzothiophene-2-carboxamide?
The InChIKey is NKJZLKLIZFSLDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FNOS/c1-18(13-5-3-2-4-6-13)16(19)15-9-11-7-8-12(17)10-14(11)20-15/h2-10H,1H3.
What are the key properties of 6-fluoro-N-methyl-N-phenyl-1-benzothiophene-2-carboxamide?
6-fluoro-N-methyl-N-phenyl-1-benzothiophene-2-carboxamide has a molecular weight of 285.34 g/mol, XLogP of 4.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-methyl-N-phenyl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 29199446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).