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

C15H10F2N2O3 — CID 108740435

IUPACN-(4-acetyl-3-cyano-5-methylfuran-2-yl)-2,5-difluorobenzamide
SMILESCC(=O)c1c(C)oc(NC(=O)c2cc(F)ccc2F)c1C#N
InChIInChI=1S/C15H10F2N2O3/c1-7(20)13-8(2)22-15(11(13)6-18)19-14(21)10-5-9(16)3-4-12(10)17/h3-5H,1-2H3,(H,19,21)
InChIKeyRQCCGAHWHAYIIX-UHFFFAOYSA-N
MW304.25 g/mol
LogP3.19
Rot. Bonds3

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

N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-2,5-difluorobenzamide (PubChem CID 108740435) 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)-2,5-difluorobenzamide.

Molecular Properties

Compound NameN-(4-acetyl-3-cyano-5-methylfuran-2-yl)-2,5-difluorobenzamide
PubChem CID108740435
Molecular FormulaC15H10F2N2O3
Molecular Weight304.25 g/mol
Exact Mass304.07
IUPAC NameN-(4-acetyl-3-cyano-5-methylfuran-2-yl)-2,5-difluorobenzamide
SMILESCC(=O)c1c(C)oc(NC(=O)c2cc(F)ccc2F)c1C#N
InChIInChI=1S/C15H10F2N2O3/c1-7(20)13-8(2)22-15(11(13)6-18)19-14(21)10-5-9(16)3-4-12(10)17/h3-5H,1-2H3,(H,19,21)
InChIKeyRQCCGAHWHAYIIX-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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Frequently Asked Questions

What is the IUPAC name of N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-2,5-difluorobenzamide?
The IUPAC name of N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-2,5-difluorobenzamide (CID 108740435) is N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-2,5-difluorobenzamide.
What is the SMILES notation for N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-2,5-difluorobenzamide?
The canonical SMILES for N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-2,5-difluorobenzamide is CC(=O)c1c(C)oc(NC(=O)c2cc(F)ccc2F)c1C#N.
What is the InChIKey of N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-2,5-difluorobenzamide?
The InChIKey is RQCCGAHWHAYIIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2N2O3/c1-7(20)13-8(2)22-15(11(13)6-18)19-14(21)10-5-9(16)3-4-12(10)17/h3-5H,1-2H3,(H,19,21).
What are the key properties of N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-2,5-difluorobenzamide?
N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-2,5-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)-2,5-difluorobenzamide is sourced from PubChem (CID 108740435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).