N-(2-cyano-4-fluorophenyl)furan-3-carboxamide

C12H7FN2O2 — CID 79954360

IUPACN-(2-cyano-4-fluorophenyl)furan-3-carboxamide
SMILESN#Cc1cc(F)ccc1NC(=O)c1ccoc1
InChIInChI=1S/C12H7FN2O2/c13-10-1-2-11(9(5-10)6-14)15-12(16)8-3-4-17-7-8/h1-5,7H,(H,15,16)
InChIKeyJCRSXKJMWPCRHR-UHFFFAOYSA-N
MW230.20 g/mol
LogP2.54
Rot. Bonds2

About N-(2-cyano-4-fluorophenyl)furan-3-carboxamide

N-(2-cyano-4-fluorophenyl)furan-3-carboxamide (PubChem CID 79954360) has the molecular formula C12H7FN2O2 and a molecular weight of 230.20 g/mol. Its IUPAC name is N-(2-cyano-4-fluorophenyl)furan-3-carboxamide.

Molecular Properties

Compound NameN-(2-cyano-4-fluorophenyl)furan-3-carboxamide
PubChem CID79954360
Molecular FormulaC12H7FN2O2
Molecular Weight230.20 g/mol
Exact Mass230.05
IUPAC NameN-(2-cyano-4-fluorophenyl)furan-3-carboxamide
SMILESN#Cc1cc(F)ccc1NC(=O)c1ccoc1
InChIInChI=1S/C12H7FN2O2/c13-10-1-2-11(9(5-10)6-14)15-12(16)8-3-4-17-7-8/h1-5,7H,(H,15,16)
InChIKeyJCRSXKJMWPCRHR-UHFFFAOYSA-N
XLogP2.54
TPSA66.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.20
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-cyano-4-fluorophenyl)furan-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]furan-3-carboxamide
CID 60803152
N-(2-bromo-4-fluorophenyl)furan-3-carboxamide
CID 28938638
N-(2-cyano-4-fluorophenyl)-4-iodobenzamide
CID 79952957
N-(2-cyano-4-fluorophenyl)-4-methylbenzamide
CID 79947423
4-chloro-N-(2-cyano-4-fluorophenyl)benzamide
CID 79946601
N-(2-cyano-4-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 79953680
2-amino-N-(2-cyano-4-fluorophenyl)pyridine-4-carboxamide
CID 82685570
3-chloro-N-(2-cyano-4-fluorophenyl)-4-fluorobenzamide
CID 81484638
N-(2-cyano-4-fluorophenyl)-5-iodothiophene-3-carboxamide
CID 79954178
N-(2-cyano-4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 79954013
3-[(2-cyano-4-fluorophenyl)carbamoyl]pyrazine-2-carboxylic acid
CID 39039205
N-(2-cyano-4-fluorophenyl)-5-methylfuran-2-carboxamide
CID 79954179

Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-4-fluorophenyl)furan-3-carboxamide?
The IUPAC name of N-(2-cyano-4-fluorophenyl)furan-3-carboxamide (CID 79954360) is N-(2-cyano-4-fluorophenyl)furan-3-carboxamide.
What is the SMILES notation for N-(2-cyano-4-fluorophenyl)furan-3-carboxamide?
The canonical SMILES for N-(2-cyano-4-fluorophenyl)furan-3-carboxamide is N#Cc1cc(F)ccc1NC(=O)c1ccoc1.
What is the InChIKey of N-(2-cyano-4-fluorophenyl)furan-3-carboxamide?
The InChIKey is JCRSXKJMWPCRHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7FN2O2/c13-10-1-2-11(9(5-10)6-14)15-12(16)8-3-4-17-7-8/h1-5,7H,(H,15,16).
What are the key properties of N-(2-cyano-4-fluorophenyl)furan-3-carboxamide?
N-(2-cyano-4-fluorophenyl)furan-3-carboxamide has a molecular weight of 230.20 g/mol, XLogP of 2.54, 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)furan-3-carboxamide is sourced from PubChem (CID 79954360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).