3-cyanobenzo[g][1]benzofuran-2-carboxamide

C14H8N2O2 — CID 143084494

IUPAC3-cyanobenzo[g][1]benzofuran-2-carboxamide
SMILESN#Cc1c(C(N)=O)oc2c1ccc1ccccc12
InChIInChI=1S/C14H8N2O2/c15-7-11-10-6-5-8-3-1-2-4-9(8)12(10)18-13(11)14(16)17/h1-6H,(H2,16,17)
InChIKeyQXFYEXQNPHQKCV-UHFFFAOYSA-N
MW236.23 g/mol
LogP2.56
Rot. Bonds1

About 3-cyanobenzo[g][1]benzofuran-2-carboxamide

3-cyanobenzo[g][1]benzofuran-2-carboxamide (PubChem CID 143084494) has the molecular formula C14H8N2O2 and a molecular weight of 236.23 g/mol. Its IUPAC name is 3-cyanobenzo[g][1]benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-cyanobenzo[g][1]benzofuran-2-carboxamide
PubChem CID143084494
Molecular FormulaC14H8N2O2
Molecular Weight236.23 g/mol
Exact Mass236.06
IUPAC Name3-cyanobenzo[g][1]benzofuran-2-carboxamide
SMILESN#Cc1c(C(N)=O)oc2c1ccc1ccccc12
InChIInChI=1S/C14H8N2O2/c15-7-11-10-6-5-8-3-1-2-4-9(8)12(10)18-13(11)14(16)17/h1-6H,(H2,16,17)
InChIKeyQXFYEXQNPHQKCV-UHFFFAOYSA-N
XLogP2.56
TPSA80.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-aminobenzo[g][1]benzofuran-2-carboxylic acid
CID 174973228
naphthalene-1-carbonitrile;naphthalene-1-carboxamide
CID 158583928
phenanthrene-1,2-dicarbonitrile
CID 19041876
1-acetamidobenzo[e][1]benzofuran-2-carboxamide
CID 23148944
3-methyl-N-(1,3,4-thiadiazol-2-yl)benzo[g][1]benzofuran-2-carboxamide
CID 30550761
pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene-9,10,11,12-tetracarbonitrile
CID 146436976
(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 3-methylbenzo[g][1]benzofuran-2-carboxylate
CID 30591489
2-(deuteriomethyl)naphthalene-1-carbonitrile
CID 12563419
3-methyl-N-[(1R)-1-phenylethyl]benzo[g][1]benzofuran-2-carboxamide
CID 7945436
N-(2,3-dimethylphenyl)-3-methylbenzo[g][1]benzofuran-2-carboxamide
CID 7946958
3-methyl-N-(3-methylbutyl)benzo[g][1]benzofuran-2-carboxamide
CID 7926460
3-methyl-N-[3-(methylamino)propyl]benzo[g][1]benzofuran-2-carboxamide
CID 119430725

Frequently Asked Questions

What is the IUPAC name of 3-cyanobenzo[g][1]benzofuran-2-carboxamide?
The IUPAC name of 3-cyanobenzo[g][1]benzofuran-2-carboxamide (CID 143084494) is 3-cyanobenzo[g][1]benzofuran-2-carboxamide.
What is the SMILES notation for 3-cyanobenzo[g][1]benzofuran-2-carboxamide?
The canonical SMILES for 3-cyanobenzo[g][1]benzofuran-2-carboxamide is N#Cc1c(C(N)=O)oc2c1ccc1ccccc12.
What is the InChIKey of 3-cyanobenzo[g][1]benzofuran-2-carboxamide?
The InChIKey is QXFYEXQNPHQKCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8N2O2/c15-7-11-10-6-5-8-3-1-2-4-9(8)12(10)18-13(11)14(16)17/h1-6H,(H2,16,17).
What are the key properties of 3-cyanobenzo[g][1]benzofuran-2-carboxamide?
3-cyanobenzo[g][1]benzofuran-2-carboxamide has a molecular weight of 236.23 g/mol, XLogP of 2.56, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyanobenzo[g][1]benzofuran-2-carboxamide is sourced from PubChem (CID 143084494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).