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

C20H12FN3O2 — CID 167572344

IUPAC3-cyano-2-fluoro-N-[3-(furan-3-yl)-1H-isoindol-5-yl]benzamide
SMILESN#Cc1cccc(C(=O)Nc2ccc3c(c2)C(c2ccoc2)=NC3)c1F
InChIInChI=1S/C20H12FN3O2/c21-18-12(9-22)2-1-3-16(18)20(25)24-15-5-4-13-10-23-19(17(13)8-15)14-6-7-26-11-14/h1-8,11H,10H2,(H,24,25)
InChIKeyGBMSXIHTILDZTQ-UHFFFAOYSA-N
MW345.33 g/mol
LogP3.89
Rot. Bonds3

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

3-cyano-2-fluoro-N-[3-(furan-3-yl)-1H-isoindol-5-yl]benzamide (PubChem CID 167572344) has the molecular formula C20H12FN3O2 and a molecular weight of 345.33 g/mol. Its IUPAC name is 3-cyano-2-fluoro-N-[3-(furan-3-yl)-1H-isoindol-5-yl]benzamide.

Molecular Properties

Compound Name3-cyano-2-fluoro-N-[3-(furan-3-yl)-1H-isoindol-5-yl]benzamide
PubChem CID167572344
Molecular FormulaC20H12FN3O2
Molecular Weight345.33 g/mol
Exact Mass345.09
IUPAC Name3-cyano-2-fluoro-N-[3-(furan-3-yl)-1H-isoindol-5-yl]benzamide
SMILESN#Cc1cccc(C(=O)Nc2ccc3c(c2)C(c2ccoc2)=NC3)c1F
InChIInChI=1S/C20H12FN3O2/c21-18-12(9-22)2-1-3-16(18)20(25)24-15-5-4-13-10-23-19(17(13)8-15)14-6-7-26-11-14/h1-8,11H,10H2,(H,24,25)
InChIKeyGBMSXIHTILDZTQ-UHFFFAOYSA-N
XLogP3.89
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.33
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-3-cyano-N-[3-(furan-3-yl)-1H-isoindol-5-yl]benzamide
CID 167542109
3-cyano-2,6-difluoro-N-[3-(furan-3-yl)-1H-isoindol-5-yl]benzamide
CID 167625204
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
5-cyano-N-[3-(3-cyanophenyl)-1H-isoindol-5-yl]-3-methylpyridine-2-carboxamide
CID 167578708
5-cyano-3,4-dimethyl-N-[3-[1-(trifluoromethyl)pyrazol-4-yl]-1H-isoindol-5-yl]pyridine-2-carboxamide
CID 167627369
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
5-cyano-N-[3-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]-1H-isoindol-5-yl]-3-methylpyridine-2-carboxamide
CID 167549456
5-cyano-N-[3-(3-methoxyphenyl)-1H-isoindol-5-yl]-3-methylpyridine-2-carboxamide
CID 167662281
3-chloro-N-(3,4-dicyanophenyl)-2-fluorobenzamide
CID 103774874
N-(3-phenyl-1H-isoindol-5-yl)-6-(trifluoromethyl)-3H-isoindole-5-carboxamide
CID 165090599
4,6-difluoro-1-methyl-N-(3-pyridin-3-yl-1H-isoindol-5-yl)indazole-5-carboxamide
CID 165029629

Frequently Asked Questions

What is the IUPAC name of 3-cyano-2-fluoro-N-[3-(furan-3-yl)-1H-isoindol-5-yl]benzamide?
The IUPAC name of 3-cyano-2-fluoro-N-[3-(furan-3-yl)-1H-isoindol-5-yl]benzamide (CID 167572344) is 3-cyano-2-fluoro-N-[3-(furan-3-yl)-1H-isoindol-5-yl]benzamide.
What is the SMILES notation for 3-cyano-2-fluoro-N-[3-(furan-3-yl)-1H-isoindol-5-yl]benzamide?
The canonical SMILES for 3-cyano-2-fluoro-N-[3-(furan-3-yl)-1H-isoindol-5-yl]benzamide is N#Cc1cccc(C(=O)Nc2ccc3c(c2)C(c2ccoc2)=NC3)c1F.
What is the InChIKey of 3-cyano-2-fluoro-N-[3-(furan-3-yl)-1H-isoindol-5-yl]benzamide?
The InChIKey is GBMSXIHTILDZTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12FN3O2/c21-18-12(9-22)2-1-3-16(18)20(25)24-15-5-4-13-10-23-19(17(13)8-15)14-6-7-26-11-14/h1-8,11H,10H2,(H,24,25).
What are the key properties of 3-cyano-2-fluoro-N-[3-(furan-3-yl)-1H-isoindol-5-yl]benzamide?
3-cyano-2-fluoro-N-[3-(furan-3-yl)-1H-isoindol-5-yl]benzamide has a molecular weight of 345.33 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-2-fluoro-N-[3-(furan-3-yl)-1H-isoindol-5-yl]benzamide is sourced from PubChem (CID 167572344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).