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

C15H14N2O2 — CID 108762728

IUPACN-(3-cyano-4,5-dimethylfuran-2-yl)-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2oc(C)c(C)c2C#N)cc1
InChIInChI=1S/C15H14N2O2/c1-9-4-6-12(7-5-9)14(18)17-15-13(8-16)10(2)11(3)19-15/h4-7H,1-3H3,(H,17,18)
InChIKeyWQXALORBVTZETF-UHFFFAOYSA-N
MW254.29 g/mol
LogP3.33
Rot. Bonds2

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

N-(3-cyano-4,5-dimethylfuran-2-yl)-4-methylbenzamide (PubChem CID 108762728) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is N-(3-cyano-4,5-dimethylfuran-2-yl)-4-methylbenzamide.

Molecular Properties

Compound NameN-(3-cyano-4,5-dimethylfuran-2-yl)-4-methylbenzamide
PubChem CID108762728
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC NameN-(3-cyano-4,5-dimethylfuran-2-yl)-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2oc(C)c(C)c2C#N)cc1
InChIInChI=1S/C15H14N2O2/c1-9-4-6-12(7-5-9)14(18)17-15-13(8-16)10(2)11(3)19-15/h4-7H,1-3H3,(H,17,18)
InChIKeyWQXALORBVTZETF-UHFFFAOYSA-N
XLogP3.33
TPSA66.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-cyano-4,5-dimethylfuran-2-yl)-3,5-dimethoxybenzamide
CID 108762746
N-(3-cyano-4,5-dimethylfuran-2-yl)-2-(2,4-dimethylphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 108762777
methyl 3-[(3-cyano-4,5-dimethylfuran-2-yl)carbamoyl]benzoate
CID 108740250
N-(3-cyano-4,5-dimethylfuran-2-yl)-2-iodobenzamide
CID 108762743
N-(3-cyanofuro[3,2-b]pyridin-2-yl)-4-methylbenzamide
CID 23736880
N-(3-cyano-4,5-diphenylfuran-2-yl)-4-methylbenzamide
CID 108757664
2-chloro-N-(3-cyano-4,5-dimethylfuran-2-yl)-5-nitrobenzamide
CID 108740165
N-(3-cyano-4,5-dimethylfuran-2-yl)-2-oxochromene-3-carboxamide
CID 108740106
N-(3-cyano-4,5-dimethylfuran-2-yl)-1-methyl-5-[methyl-(4-methylphenyl)sulfonylamino]pyrazole-4-carboxamide
CID 108802173
N-(3-cyano-4,5-dimethylfuran-2-yl)-2-phenylimidazo[1,2-a]pyridine-7-carboxamide
CID 108801399
2-(benzenesulfonyl)-N-(3-cyano-4,5-dimethylfuran-2-yl)acetamide
CID 9458920
2-[[2-[(3-cyano-4,5-dimethylfuran-2-yl)amino]-2-oxoethyl]amino]acetic acid
CID 43465994

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4,5-dimethylfuran-2-yl)-4-methylbenzamide?
The IUPAC name of N-(3-cyano-4,5-dimethylfuran-2-yl)-4-methylbenzamide (CID 108762728) is N-(3-cyano-4,5-dimethylfuran-2-yl)-4-methylbenzamide.
What is the SMILES notation for N-(3-cyano-4,5-dimethylfuran-2-yl)-4-methylbenzamide?
The canonical SMILES for N-(3-cyano-4,5-dimethylfuran-2-yl)-4-methylbenzamide is Cc1ccc(C(=O)Nc2oc(C)c(C)c2C#N)cc1.
What is the InChIKey of N-(3-cyano-4,5-dimethylfuran-2-yl)-4-methylbenzamide?
The InChIKey is WQXALORBVTZETF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c1-9-4-6-12(7-5-9)14(18)17-15-13(8-16)10(2)11(3)19-15/h4-7H,1-3H3,(H,17,18).
What are the key properties of N-(3-cyano-4,5-dimethylfuran-2-yl)-4-methylbenzamide?
N-(3-cyano-4,5-dimethylfuran-2-yl)-4-methylbenzamide has a molecular weight of 254.29 g/mol, XLogP of 3.33, 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)-4-methylbenzamide is sourced from PubChem (CID 108762728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).