N-(3-cyano-4,5-dimethylfuran-2-yl)-3-fluorobenzamide

C14H11FN2O2 — CID 108740171

IUPACN-(3-cyano-4,5-dimethylfuran-2-yl)-3-fluorobenzamide
SMILESCc1oc(NC(=O)c2cccc(F)c2)c(C#N)c1C
InChIInChI=1S/C14H11FN2O2/c1-8-9(2)19-14(12(8)7-16)17-13(18)10-4-3-5-11(15)6-10/h3-6H,1-2H3,(H,17,18)
InChIKeyCJRIJDKEUGKHDC-UHFFFAOYSA-N
MW258.25 g/mol
LogP3.16
Rot. Bonds2

About N-(3-cyano-4,5-dimethylfuran-2-yl)-3-fluorobenzamide

N-(3-cyano-4,5-dimethylfuran-2-yl)-3-fluorobenzamide (PubChem CID 108740171) has the molecular formula C14H11FN2O2 and a molecular weight of 258.25 g/mol. Its IUPAC name is N-(3-cyano-4,5-dimethylfuran-2-yl)-3-fluorobenzamide.

Molecular Properties

Compound NameN-(3-cyano-4,5-dimethylfuran-2-yl)-3-fluorobenzamide
PubChem CID108740171
Molecular FormulaC14H11FN2O2
Molecular Weight258.25 g/mol
Exact Mass258.08
IUPAC NameN-(3-cyano-4,5-dimethylfuran-2-yl)-3-fluorobenzamide
SMILESCc1oc(NC(=O)c2cccc(F)c2)c(C#N)c1C
InChIInChI=1S/C14H11FN2O2/c1-8-9(2)19-14(12(8)7-16)17-13(18)10-4-3-5-11(15)6-10/h3-6H,1-2H3,(H,17,18)
InChIKeyCJRIJDKEUGKHDC-UHFFFAOYSA-N
XLogP3.16
TPSA66.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.25
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4,5-dimethylfuran-2-yl)-3-fluorobenzamide?
The IUPAC name of N-(3-cyano-4,5-dimethylfuran-2-yl)-3-fluorobenzamide (CID 108740171) is N-(3-cyano-4,5-dimethylfuran-2-yl)-3-fluorobenzamide.
What is the SMILES notation for N-(3-cyano-4,5-dimethylfuran-2-yl)-3-fluorobenzamide?
The canonical SMILES for N-(3-cyano-4,5-dimethylfuran-2-yl)-3-fluorobenzamide is Cc1oc(NC(=O)c2cccc(F)c2)c(C#N)c1C.
What is the InChIKey of N-(3-cyano-4,5-dimethylfuran-2-yl)-3-fluorobenzamide?
The InChIKey is CJRIJDKEUGKHDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O2/c1-8-9(2)19-14(12(8)7-16)17-13(18)10-4-3-5-11(15)6-10/h3-6H,1-2H3,(H,17,18).
What are the key properties of N-(3-cyano-4,5-dimethylfuran-2-yl)-3-fluorobenzamide?
N-(3-cyano-4,5-dimethylfuran-2-yl)-3-fluorobenzamide has a molecular weight of 258.25 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4,5-dimethylfuran-2-yl)-3-fluorobenzamide is sourced from PubChem (CID 108740171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).