N-[cyano(thiophen-2-yl)methyl]-2-fluorobenzamide

C13H9FN2OS — CID 13075817

IUPACN-[cyano(thiophen-2-yl)methyl]-2-fluorobenzamide
SMILESN#CC(NC(=O)c1ccccc1F)c1cccs1
InChIInChI=1S/C13H9FN2OS/c14-10-5-2-1-4-9(10)13(17)16-11(8-15)12-6-3-7-18-12/h1-7,11H,(H,16,17)
InChIKeyIQESQCGWKOJWLY-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.88
Rot. Bonds3

About N-[cyano(thiophen-2-yl)methyl]-2-fluorobenzamide

N-[cyano(thiophen-2-yl)methyl]-2-fluorobenzamide (PubChem CID 13075817) has the molecular formula C13H9FN2OS and a molecular weight of 260.29 g/mol. Its IUPAC name is N-[cyano(thiophen-2-yl)methyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[cyano(thiophen-2-yl)methyl]-2-fluorobenzamide
PubChem CID13075817
Molecular FormulaC13H9FN2OS
Molecular Weight260.29 g/mol
Exact Mass260.04
IUPAC NameN-[cyano(thiophen-2-yl)methyl]-2-fluorobenzamide
SMILESN#CC(NC(=O)c1ccccc1F)c1cccs1
InChIInChI=1S/C13H9FN2OS/c14-10-5-2-1-4-9(10)13(17)16-11(8-15)12-6-3-7-18-12/h1-7,11H,(H,16,17)
InChIKeyIQESQCGWKOJWLY-UHFFFAOYSA-N
XLogP2.88
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]benzamide
CID 46601354
N-[cyano(thiophen-2-yl)methyl]furan-2-carboxamide
CID 13075816
2-cyano-N-[cyano(thiophen-2-yl)methyl]imidazo[1,2-a]pyridine-8-carboxamide
CID 18983865
2-bromo-N-[(S)-cyano-(2-fluorophenyl)methyl]benzamide
CID 96533894
N-[cyano(thiophen-2-yl)methyl]-3-ethylimidazo[1,2-a]pyridine-8-carboxamide
CID 18983827
2-fluoro-N-[2-[(2-methyl-1-thiophen-2-ylpropyl)amino]-2-oxoethyl]benzamide
CID 17421518
2-fluoro-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzamide
CID 122265055
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-fluorobenzamide
CID 18161749
2-amino-1-(2-fluorophenyl)-2-thiophen-2-ylethanone
CID 116601519
2-fluoro-N-methylbenzamide;hydrate
CID 141303255
N-[(1R,2S)-1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-2-fluorobenzamide
CID 28821010
2-fluoro-N-[(1S,2S)-1-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzamide
CID 92665916

Frequently Asked Questions

What is the IUPAC name of N-[cyano(thiophen-2-yl)methyl]-2-fluorobenzamide?
The IUPAC name of N-[cyano(thiophen-2-yl)methyl]-2-fluorobenzamide (CID 13075817) is N-[cyano(thiophen-2-yl)methyl]-2-fluorobenzamide.
What is the SMILES notation for N-[cyano(thiophen-2-yl)methyl]-2-fluorobenzamide?
The canonical SMILES for N-[cyano(thiophen-2-yl)methyl]-2-fluorobenzamide is N#CC(NC(=O)c1ccccc1F)c1cccs1.
What is the InChIKey of N-[cyano(thiophen-2-yl)methyl]-2-fluorobenzamide?
The InChIKey is IQESQCGWKOJWLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN2OS/c14-10-5-2-1-4-9(10)13(17)16-11(8-15)12-6-3-7-18-12/h1-7,11H,(H,16,17).
What are the key properties of N-[cyano(thiophen-2-yl)methyl]-2-fluorobenzamide?
N-[cyano(thiophen-2-yl)methyl]-2-fluorobenzamide has a molecular weight of 260.29 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyano(thiophen-2-yl)methyl]-2-fluorobenzamide is sourced from PubChem (CID 13075817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).