N-(2-cyano-4-fluorophenyl)-1-benzothiophene-2-carboxamide

C16H9FN2OS — CID 79954172

IUPACN-(2-cyano-4-fluorophenyl)-1-benzothiophene-2-carboxamide
SMILESN#Cc1cc(F)ccc1NC(=O)c1cc2ccccc2s1
InChIInChI=1S/C16H9FN2OS/c17-12-5-6-13(11(7-12)9-18)19-16(20)15-8-10-3-1-2-4-14(10)21-15/h1-8H,(H,19,20)
InChIKeyKPWBPKUQAHSIEH-UHFFFAOYSA-N
MW296.33 g/mol
LogP4.16
Rot. Bonds2

About N-(2-cyano-4-fluorophenyl)-1-benzothiophene-2-carboxamide

N-(2-cyano-4-fluorophenyl)-1-benzothiophene-2-carboxamide (PubChem CID 79954172) has the molecular formula C16H9FN2OS and a molecular weight of 296.33 g/mol. Its IUPAC name is N-(2-cyano-4-fluorophenyl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-cyano-4-fluorophenyl)-1-benzothiophene-2-carboxamide
PubChem CID79954172
Molecular FormulaC16H9FN2OS
Molecular Weight296.33 g/mol
Exact Mass296.04
IUPAC NameN-(2-cyano-4-fluorophenyl)-1-benzothiophene-2-carboxamide
SMILESN#Cc1cc(F)ccc1NC(=O)c1cc2ccccc2s1
InChIInChI=1S/C16H9FN2OS/c17-12-5-6-13(11(7-12)9-18)19-16(20)15-8-10-3-1-2-4-14(10)21-15/h1-8H,(H,19,20)
InChIKeyKPWBPKUQAHSIEH-UHFFFAOYSA-N
XLogP4.16
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-fluoro-2-phenylphenyl)-1-benzothiophene-2-carboxamide
CID 142723853
N-(2-cyano-4-fluorophenyl)-4,5-dimethylthiophene-2-carboxamide
CID 79954018
5-bromo-N-(2-cyano-4-fluorophenyl)-4-methylthiophene-2-carboxamide
CID 79953525
N-(2-cyano-4-fluorophenyl)-1-benzofuran-2-carboxamide
CID 79953678
N-(2-hydroxyphenyl)-1-benzothiophene-2-carboxamide
CID 51250610
N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]-1-benzothiophene-2-carboxamide
CID 55911688
N-(2-cyano-4-fluorophenyl)-5-iodothiophene-3-carboxamide
CID 79954178
N-(2-bromophenyl)-6-fluoro-1-benzothiophene-2-carboxamide
CID 78910861
N-(2-cyano-4-fluorophenyl)-4-iodobenzamide
CID 79952957
N-(2-amino-4-fluorophenyl)-6-fluoro-1-benzothiophene-2-carboxamide
CID 81115919
N-(2-cyano-4-fluorophenyl)-4-methylbenzamide
CID 79947423
4-chloro-N-(2-cyano-4-fluorophenyl)benzamide
CID 79946601

Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-4-fluorophenyl)-1-benzothiophene-2-carboxamide?
The IUPAC name of N-(2-cyano-4-fluorophenyl)-1-benzothiophene-2-carboxamide (CID 79954172) is N-(2-cyano-4-fluorophenyl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-(2-cyano-4-fluorophenyl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-(2-cyano-4-fluorophenyl)-1-benzothiophene-2-carboxamide is N#Cc1cc(F)ccc1NC(=O)c1cc2ccccc2s1.
What is the InChIKey of N-(2-cyano-4-fluorophenyl)-1-benzothiophene-2-carboxamide?
The InChIKey is KPWBPKUQAHSIEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9FN2OS/c17-12-5-6-13(11(7-12)9-18)19-16(20)15-8-10-3-1-2-4-14(10)21-15/h1-8H,(H,19,20).
What are the key properties of N-(2-cyano-4-fluorophenyl)-1-benzothiophene-2-carboxamide?
N-(2-cyano-4-fluorophenyl)-1-benzothiophene-2-carboxamide has a molecular weight of 296.33 g/mol, XLogP of 4.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-4-fluorophenyl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 79954172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).