N-(4-fluorophenyl)-2,5-dimethylfuran-3-carboxamide

C13H12FNO2 — CID 2811741

IUPACN-(4-fluorophenyl)-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(F)cc2)c(C)o1
InChIInChI=1S/C13H12FNO2/c1-8-7-12(9(2)17-8)13(16)15-11-5-3-10(14)4-6-11/h3-7H,1-2H3,(H,15,16)
InChIKeyBBJJFLLVXINBML-UHFFFAOYSA-N
MW233.24 g/mol
LogP3.29
Rot. Bonds2

About N-(4-fluorophenyl)-2,5-dimethylfuran-3-carboxamide

N-(4-fluorophenyl)-2,5-dimethylfuran-3-carboxamide (PubChem CID 2811741) has the molecular formula C13H12FNO2 and a molecular weight of 233.24 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2,5-dimethylfuran-3-carboxamide
PubChem CID2811741
Molecular FormulaC13H12FNO2
Molecular Weight233.24 g/mol
Exact Mass233.09
IUPAC NameN-(4-fluorophenyl)-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(F)cc2)c(C)o1
InChIInChI=1S/C13H12FNO2/c1-8-7-12(9(2)17-8)13(16)15-11-5-3-10(14)4-6-11/h3-7H,1-2H3,(H,15,16)
InChIKeyBBJJFLLVXINBML-UHFFFAOYSA-N
XLogP3.29
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.24
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-2,5-dimethylfuran-3-carboxamide (CID 2811741) is N-(4-fluorophenyl)-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-2,5-dimethylfuran-3-carboxamide is Cc1cc(C(=O)Nc2ccc(F)cc2)c(C)o1.
What is the InChIKey of N-(4-fluorophenyl)-2,5-dimethylfuran-3-carboxamide?
The InChIKey is BBJJFLLVXINBML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO2/c1-8-7-12(9(2)17-8)13(16)15-11-5-3-10(14)4-6-11/h3-7H,1-2H3,(H,15,16).
What are the key properties of N-(4-fluorophenyl)-2,5-dimethylfuran-3-carboxamide?
N-(4-fluorophenyl)-2,5-dimethylfuran-3-carboxamide has a molecular weight of 233.24 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 2811741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).