N-(4-fluoro-2-phenylphenyl)-1-benzothiophene-2-carboxamide

C21H14FNOS — CID 142723853

IUPACN-(4-fluoro-2-phenylphenyl)-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1ccc(F)cc1-c1ccccc1)c1cc2ccccc2s1
InChIInChI=1S/C21H14FNOS/c22-16-10-11-18(17(13-16)14-6-2-1-3-7-14)23-21(24)20-12-15-8-4-5-9-19(15)25-20/h1-13H,(H,23,24)
InChIKeyFYLGRBVZEWPWSL-UHFFFAOYSA-N
MW347.41 g/mol
LogP5.96
Rot. Bonds3

About N-(4-fluoro-2-phenylphenyl)-1-benzothiophene-2-carboxamide

N-(4-fluoro-2-phenylphenyl)-1-benzothiophene-2-carboxamide (PubChem CID 142723853) has the molecular formula C21H14FNOS and a molecular weight of 347.41 g/mol. Its IUPAC name is N-(4-fluoro-2-phenylphenyl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-fluoro-2-phenylphenyl)-1-benzothiophene-2-carboxamide
PubChem CID142723853
Molecular FormulaC21H14FNOS
Molecular Weight347.41 g/mol
Exact Mass347.08
IUPAC NameN-(4-fluoro-2-phenylphenyl)-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1ccc(F)cc1-c1ccccc1)c1cc2ccccc2s1
InChIInChI=1S/C21H14FNOS/c22-16-10-11-18(17(13-16)14-6-2-1-3-7-14)23-21(24)20-12-15-8-4-5-9-19(15)25-20/h1-13H,(H,23,24)
InChIKeyFYLGRBVZEWPWSL-UHFFFAOYSA-N
XLogP5.96
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.41
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-cyano-4-fluorophenyl)-1-benzothiophene-2-carboxamide
CID 79954172
N-(2-naphthalen-2-ylphenyl)-1-benzothiophene-2-carboxamide
CID 142723952
N-(2-hydroxyphenyl)-1-benzothiophene-2-carboxamide
CID 51250610
N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]-1-benzothiophene-2-carboxamide
CID 55911688
N-(2-bromophenyl)-6-fluoro-1-benzothiophene-2-carboxamide
CID 78910861
N-(2-amino-4-fluorophenyl)-6-fluoro-1-benzothiophene-2-carboxamide
CID 81115919
N-(2-amino-5-fluorophenyl)-6-fluoro-1-benzothiophene-2-carboxamide
CID 81105328
N-[2-(bromomethyl)phenyl]-6-fluoro-1-benzothiophene-2-carboxamide
CID 114309702
N-(4-bromo-2,6-difluorophenyl)-1-benzothiophene-2-carboxamide
CID 65499900
N-[2-(chloromethyl)phenyl]-1-benzothiophene-2-carboxamide
CID 114298249
N-[2-(1,3-benzothiazol-2-yl)-4-fluorophenyl]benzamide
CID 162385471
N-(2-bromo-6-chloro-4-fluorophenyl)-1-benzothiophene-2-carboxamide
CID 103867716

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-phenylphenyl)-1-benzothiophene-2-carboxamide?
The IUPAC name of N-(4-fluoro-2-phenylphenyl)-1-benzothiophene-2-carboxamide (CID 142723853) is N-(4-fluoro-2-phenylphenyl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-(4-fluoro-2-phenylphenyl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-(4-fluoro-2-phenylphenyl)-1-benzothiophene-2-carboxamide is O=C(Nc1ccc(F)cc1-c1ccccc1)c1cc2ccccc2s1.
What is the InChIKey of N-(4-fluoro-2-phenylphenyl)-1-benzothiophene-2-carboxamide?
The InChIKey is FYLGRBVZEWPWSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14FNOS/c22-16-10-11-18(17(13-16)14-6-2-1-3-7-14)23-21(24)20-12-15-8-4-5-9-19(15)25-20/h1-13H,(H,23,24).
What are the key properties of N-(4-fluoro-2-phenylphenyl)-1-benzothiophene-2-carboxamide?
N-(4-fluoro-2-phenylphenyl)-1-benzothiophene-2-carboxamide has a molecular weight of 347.41 g/mol, XLogP of 5.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2-phenylphenyl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 142723853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).