N-(3-cyano-4-fluorophenyl)thiophene-3-carboxamide

C12H7FN2OS — CID 62316846

IUPACN-(3-cyano-4-fluorophenyl)thiophene-3-carboxamide
SMILESN#Cc1cc(NC(=O)c2ccsc2)ccc1F
InChIInChI=1S/C12H7FN2OS/c13-11-2-1-10(5-9(11)6-14)15-12(16)8-3-4-17-7-8/h1-5,7H,(H,15,16)
InChIKeyYUUQAENHWGTKTG-UHFFFAOYSA-N
MW246.27 g/mol
LogP3.01
Rot. Bonds2

About N-(3-cyano-4-fluorophenyl)thiophene-3-carboxamide

N-(3-cyano-4-fluorophenyl)thiophene-3-carboxamide (PubChem CID 62316846) has the molecular formula C12H7FN2OS and a molecular weight of 246.27 g/mol. Its IUPAC name is N-(3-cyano-4-fluorophenyl)thiophene-3-carboxamide.

Molecular Properties

Compound NameN-(3-cyano-4-fluorophenyl)thiophene-3-carboxamide
PubChem CID62316846
Molecular FormulaC12H7FN2OS
Molecular Weight246.27 g/mol
Exact Mass246.03
IUPAC NameN-(3-cyano-4-fluorophenyl)thiophene-3-carboxamide
SMILESN#Cc1cc(NC(=O)c2ccsc2)ccc1F
InChIInChI=1S/C12H7FN2OS/c13-11-2-1-10(5-9(11)6-14)15-12(16)8-3-4-17-7-8/h1-5,7H,(H,15,16)
InChIKeyYUUQAENHWGTKTG-UHFFFAOYSA-N
XLogP3.01
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-cyano-4-fluorophenyl)-5-iodothiophene-3-carboxamide
CID 78948945
3-bromo-N-(3-cyano-4-fluorophenyl)-4-fluorobenzamide
CID 103707295
N-(3-cyano-4-fluorophenyl)-6-fluoropyridine-3-carboxamide
CID 63978798
N-(3-cyano-4-fluorophenyl)-1H-pyrazole-4-carboxamide
CID 62315667
N-(3-cyano-4-fluorophenyl)-2-oxo-1H-pyridine-4-carboxamide
CID 103765200
2-chloro-N-(3-cyano-4-fluorophenyl)prop-2-enamide
CID 130856187
N-(3-cyano-4-fluorophenyl)-2,4,6-trimethylbenzamide
CID 62315615
2-bromo-N-(3-cyano-4-fluorophenyl)pyridine-4-carboxamide
CID 113255679
2-amino-N-(3-cyano-4-fluorophenyl)-2-methylpropanamide
CID 62315656
N-(3-cyano-4-fluorophenyl)-2,3-dihydroxybenzamide
CID 114343561
4-chloro-N-(3-cyano-4-fluorophenyl)-2-hydroxybenzamide
CID 62316486
N-[4-(2-cyano-3-fluorophenoxy)phenyl]thiophene-3-carboxamide
CID 133288211

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4-fluorophenyl)thiophene-3-carboxamide?
The IUPAC name of N-(3-cyano-4-fluorophenyl)thiophene-3-carboxamide (CID 62316846) is N-(3-cyano-4-fluorophenyl)thiophene-3-carboxamide.
What is the SMILES notation for N-(3-cyano-4-fluorophenyl)thiophene-3-carboxamide?
The canonical SMILES for N-(3-cyano-4-fluorophenyl)thiophene-3-carboxamide is N#Cc1cc(NC(=O)c2ccsc2)ccc1F.
What is the InChIKey of N-(3-cyano-4-fluorophenyl)thiophene-3-carboxamide?
The InChIKey is YUUQAENHWGTKTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7FN2OS/c13-11-2-1-10(5-9(11)6-14)15-12(16)8-3-4-17-7-8/h1-5,7H,(H,15,16).
What are the key properties of N-(3-cyano-4-fluorophenyl)thiophene-3-carboxamide?
N-(3-cyano-4-fluorophenyl)thiophene-3-carboxamide has a molecular weight of 246.27 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4-fluorophenyl)thiophene-3-carboxamide is sourced from PubChem (CID 62316846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).