3-cyano-2,6-difluoro-N-[3-(furan-3-yl)-1H-isoindol-5-yl]benzamide

C20H11F2N3O2 — CID 167625204

IUPAC3-cyano-2,6-difluoro-N-[3-(furan-3-yl)-1H-isoindol-5-yl]benzamide
SMILESN#Cc1ccc(F)c(C(=O)Nc2ccc3c(c2)C(c2ccoc2)=NC3)c1F
InChIInChI=1S/C20H11F2N3O2/c21-16-4-2-11(8-23)18(22)17(16)20(26)25-14-3-1-12-9-24-19(15(12)7-14)13-5-6-27-10-13/h1-7,10H,9H2,(H,25,26)
InChIKeyMZUAUZKYGCNLGM-UHFFFAOYSA-N
MW363.32 g/mol
LogP4.03
Rot. Bonds3

About 3-cyano-2,6-difluoro-N-[3-(furan-3-yl)-1H-isoindol-5-yl]benzamide

3-cyano-2,6-difluoro-N-[3-(furan-3-yl)-1H-isoindol-5-yl]benzamide (PubChem CID 167625204) has the molecular formula C20H11F2N3O2 and a molecular weight of 363.32 g/mol. Its IUPAC name is 3-cyano-2,6-difluoro-N-[3-(furan-3-yl)-1H-isoindol-5-yl]benzamide.

Molecular Properties

Compound Name3-cyano-2,6-difluoro-N-[3-(furan-3-yl)-1H-isoindol-5-yl]benzamide
PubChem CID167625204
Molecular FormulaC20H11F2N3O2
Molecular Weight363.32 g/mol
Exact Mass363.08
IUPAC Name3-cyano-2,6-difluoro-N-[3-(furan-3-yl)-1H-isoindol-5-yl]benzamide
SMILESN#Cc1ccc(F)c(C(=O)Nc2ccc3c(c2)C(c2ccoc2)=NC3)c1F
InChIInChI=1S/C20H11F2N3O2/c21-16-4-2-11(8-23)18(22)17(16)20(26)25-14-3-1-12-9-24-19(15(12)7-14)13-5-6-27-10-13/h1-7,10H,9H2,(H,25,26)
InChIKeyMZUAUZKYGCNLGM-UHFFFAOYSA-N
XLogP4.03
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.32
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyano-2-fluoro-N-[3-(furan-3-yl)-1H-isoindol-5-yl]benzamide
CID 167572344
2-chloro-3-cyano-N-[3-(furan-3-yl)-1H-isoindol-5-yl]benzamide
CID 167542109
3-cyano-N-[3-(furan-3-yl)-1H-isoindol-5-yl]-4-methyl-1H-pyrazole-5-carboxamide
CID 167537423
N-[3-(furan-3-yl)-1H-isoindol-5-yl]-1,4,6-trimethylindazole-5-carboxamide
CID 164984999
3-cyano-2-fluoro-N-[3-(furan-3-yl)-1H-indazol-5-yl]-6-methylbenzamide
CID 155481978
4,6-difluoro-1-methyl-N-[3-(3-methyl-1,2-oxazol-4-yl)-1H-isoindol-5-yl]indazole-5-carboxamide
CID 165109745
4,6-difluoro-1-methyl-N-(3-pyridin-3-yl-1H-isoindol-5-yl)indazole-5-carboxamide
CID 165029629
4,6-difluoro-1-methyl-N-[3-(1,2-oxazol-5-yl)-1H-isoindol-5-yl]indazole-5-carboxamide
CID 164975000
5-cyano-3,4-dimethyl-N-[3-[1-(trifluoromethyl)pyrazol-4-yl]-1H-isoindol-5-yl]pyridine-2-carboxamide
CID 167627369
4,6-difluoro-N-[3-(2-fluorophenyl)-1H-isoindol-5-yl]-1-methylindazole-5-carboxamide
CID 164950841
4,6-difluoro-N-[3-(2-hydroxyphenyl)-1H-isoindol-5-yl]-1-methylindazole-5-carboxamide
CID 164949063
N-[3-(furan-3-yl)-1H-isoindol-5-yl]-8,8-dimethyl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide
CID 165048943

Frequently Asked Questions

What is the IUPAC name of 3-cyano-2,6-difluoro-N-[3-(furan-3-yl)-1H-isoindol-5-yl]benzamide?
The IUPAC name of 3-cyano-2,6-difluoro-N-[3-(furan-3-yl)-1H-isoindol-5-yl]benzamide (CID 167625204) is 3-cyano-2,6-difluoro-N-[3-(furan-3-yl)-1H-isoindol-5-yl]benzamide.
What is the SMILES notation for 3-cyano-2,6-difluoro-N-[3-(furan-3-yl)-1H-isoindol-5-yl]benzamide?
The canonical SMILES for 3-cyano-2,6-difluoro-N-[3-(furan-3-yl)-1H-isoindol-5-yl]benzamide is N#Cc1ccc(F)c(C(=O)Nc2ccc3c(c2)C(c2ccoc2)=NC3)c1F.
What is the InChIKey of 3-cyano-2,6-difluoro-N-[3-(furan-3-yl)-1H-isoindol-5-yl]benzamide?
The InChIKey is MZUAUZKYGCNLGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11F2N3O2/c21-16-4-2-11(8-23)18(22)17(16)20(26)25-14-3-1-12-9-24-19(15(12)7-14)13-5-6-27-10-13/h1-7,10H,9H2,(H,25,26).
What are the key properties of 3-cyano-2,6-difluoro-N-[3-(furan-3-yl)-1H-isoindol-5-yl]benzamide?
3-cyano-2,6-difluoro-N-[3-(furan-3-yl)-1H-isoindol-5-yl]benzamide has a molecular weight of 363.32 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-2,6-difluoro-N-[3-(furan-3-yl)-1H-isoindol-5-yl]benzamide is sourced from PubChem (CID 167625204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).