N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-3,4-difluorobenzamide

C15H10F2N2O3 — CID 108740425

IUPACN-(4-acetyl-3-cyano-5-methylfuran-2-yl)-3,4-difluorobenzamide
SMILESCC(=O)c1c(C)oc(NC(=O)c2ccc(F)c(F)c2)c1C#N
InChIInChI=1S/C15H10F2N2O3/c1-7(20)13-8(2)22-15(10(13)6-18)19-14(21)9-3-4-11(16)12(17)5-9/h3-5H,1-2H3,(H,19,21)
InChIKeyYCYJUAZOHCVKSJ-UHFFFAOYSA-N
MW304.25 g/mol
LogP3.19
Rot. Bonds3

About N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-3,4-difluorobenzamide

N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-3,4-difluorobenzamide (PubChem CID 108740425) has the molecular formula C15H10F2N2O3 and a molecular weight of 304.25 g/mol. Its IUPAC name is N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-3,4-difluorobenzamide.

Molecular Properties

Compound NameN-(4-acetyl-3-cyano-5-methylfuran-2-yl)-3,4-difluorobenzamide
PubChem CID108740425
Molecular FormulaC15H10F2N2O3
Molecular Weight304.25 g/mol
Exact Mass304.07
IUPAC NameN-(4-acetyl-3-cyano-5-methylfuran-2-yl)-3,4-difluorobenzamide
SMILESCC(=O)c1c(C)oc(NC(=O)c2ccc(F)c(F)c2)c1C#N
InChIInChI=1S/C15H10F2N2O3/c1-7(20)13-8(2)22-15(10(13)6-18)19-14(21)9-3-4-11(16)12(17)5-9/h3-5H,1-2H3,(H,19,21)
InChIKeyYCYJUAZOHCVKSJ-UHFFFAOYSA-N
XLogP3.19
TPSA83.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.25
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-cyano-5-phenylfuran-2-yl)-4-methylbenzamide
CID 1477449
N-(3-cyano-5-phenylfuran-2-yl)-3-methylbenzamide
CID 3710774
N-(3-cyano-5-phenylfuran-2-yl)-2-methylpropanamide
CID 730912
N-(3-Cyano-4,5-diphenyl-2-furanyl)-2,2,2-trifluoroacetamide
CID 1102939
N-(3-cyano-5-phenylfuran-2-yl)benzamide
CID 730897
N-(2-fluorophenyl)-2,5-dimethylfuran-3-carboxamide
CID 16648726
N-(3-cyano-4,5-diphenyl(2-furyl))benzamide
CID 1109697
N-(3-fluorophenyl)-2,5-dimethylfuran-3-carboxamide
CID 841359
n-(3-Cyano-4,5-diphenyl-2-furyl)-2,2-dimethylpropanamide
CID 782403
1-(5-(tert-Butylamino)-2-methyl-4-phenylfuran-3-yl)ethanone
CID 15322818
N-(4-fluorophenyl)-2,5-dimethylfuran-3-carboxamide
CID 2811741
N-(3-cyano-5-phenylfuran-2-yl)-2-(trifluoromethyl)benzamide
CID 4438210

Frequently Asked Questions

What is the IUPAC name of N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-3,4-difluorobenzamide?
The IUPAC name of N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-3,4-difluorobenzamide (CID 108740425) is N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-3,4-difluorobenzamide.
What is the SMILES notation for N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-3,4-difluorobenzamide?
The canonical SMILES for N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-3,4-difluorobenzamide is CC(=O)c1c(C)oc(NC(=O)c2ccc(F)c(F)c2)c1C#N.
What is the InChIKey of N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-3,4-difluorobenzamide?
The InChIKey is YCYJUAZOHCVKSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2N2O3/c1-7(20)13-8(2)22-15(10(13)6-18)19-14(21)9-3-4-11(16)12(17)5-9/h3-5H,1-2H3,(H,19,21).
What are the key properties of N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-3,4-difluorobenzamide?
N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-3,4-difluorobenzamide has a molecular weight of 304.25 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-3,4-difluorobenzamide is sourced from PubChem (CID 108740425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).