N-(2-cyano-4-fluorophenyl)-5-methylfuran-2-carboxamide

C13H9FN2O2 — CID 79954179

IUPACN-(2-cyano-4-fluorophenyl)-5-methylfuran-2-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc(F)cc2C#N)o1
InChIInChI=1S/C13H9FN2O2/c1-8-2-5-12(18-8)13(17)16-11-4-3-10(14)6-9(11)7-15/h2-6H,1H3,(H,16,17)
InChIKeyUBJWTZIHTQTUCD-UHFFFAOYSA-N
MW244.22 g/mol
LogP2.85
Rot. Bonds2

About N-(2-cyano-4-fluorophenyl)-5-methylfuran-2-carboxamide

N-(2-cyano-4-fluorophenyl)-5-methylfuran-2-carboxamide (PubChem CID 79954179) has the molecular formula C13H9FN2O2 and a molecular weight of 244.22 g/mol. Its IUPAC name is N-(2-cyano-4-fluorophenyl)-5-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-(2-cyano-4-fluorophenyl)-5-methylfuran-2-carboxamide
PubChem CID79954179
Molecular FormulaC13H9FN2O2
Molecular Weight244.22 g/mol
Exact Mass244.06
IUPAC NameN-(2-cyano-4-fluorophenyl)-5-methylfuran-2-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc(F)cc2C#N)o1
InChIInChI=1S/C13H9FN2O2/c1-8-2-5-12(18-8)13(17)16-11-4-3-10(14)6-9(11)7-15/h2-6H,1H3,(H,16,17)
InChIKeyUBJWTZIHTQTUCD-UHFFFAOYSA-N
XLogP2.85
TPSA66.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.22
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-fluoro-2-[(5-methylfuran-2-carbonyl)amino]benzoic acid
CID 28779501
N-(2-cyano-4-fluorophenyl)-4-methylbenzamide
CID 79947423
N-(2-cyano-4-fluorophenyl)-1-benzofuran-2-carboxamide
CID 79953678
N-(2-carbamothioyl-4-fluorophenyl)-5-methylfuran-2-carboxamide
CID 82016661
N-(2-amino-4-cyanophenyl)-5-methylfuran-2-carboxamide
CID 78965516
N-(2-cyano-4-fluorophenyl)-4-iodobenzamide
CID 79952957
N-(5-cyano-2-methylphenyl)-5-methylfuran-2-carboxamide
CID 47475916
N-(2-cyano-4-fluorophenyl)furan-3-carboxamide
CID 79954360
N-(2-cyano-4-fluorophenyl)-4,5-dimethylthiophene-2-carboxamide
CID 79954018
4-chloro-N-(2-cyano-4-fluorophenyl)benzamide
CID 79946601
N-(2-cyano-4-fluorophenyl)propanamide
CID 79952819
5-fluoro-2-[4-(5-methylfuran-2-carbonyl)piperazin-1-yl]benzonitrile
CID 71996595

Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-4-fluorophenyl)-5-methylfuran-2-carboxamide?
The IUPAC name of N-(2-cyano-4-fluorophenyl)-5-methylfuran-2-carboxamide (CID 79954179) is N-(2-cyano-4-fluorophenyl)-5-methylfuran-2-carboxamide.
What is the SMILES notation for N-(2-cyano-4-fluorophenyl)-5-methylfuran-2-carboxamide?
The canonical SMILES for N-(2-cyano-4-fluorophenyl)-5-methylfuran-2-carboxamide is Cc1ccc(C(=O)Nc2ccc(F)cc2C#N)o1.
What is the InChIKey of N-(2-cyano-4-fluorophenyl)-5-methylfuran-2-carboxamide?
The InChIKey is UBJWTZIHTQTUCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN2O2/c1-8-2-5-12(18-8)13(17)16-11-4-3-10(14)6-9(11)7-15/h2-6H,1H3,(H,16,17).
What are the key properties of N-(2-cyano-4-fluorophenyl)-5-methylfuran-2-carboxamide?
N-(2-cyano-4-fluorophenyl)-5-methylfuran-2-carboxamide has a molecular weight of 244.22 g/mol, XLogP of 2.85, 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)-5-methylfuran-2-carboxamide is sourced from PubChem (CID 79954179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).