N-(1-cyanocyclohexyl)-1,3-dihydro-2-benzofuran-5-carboxamide

C16H18N2O2 — CID 62113316

IUPACN-(1-cyanocyclohexyl)-1,3-dihydro-2-benzofuran-5-carboxamide
SMILESN#CC1(NC(=O)c2ccc3c(c2)COC3)CCCCC1
InChIInChI=1S/C16H18N2O2/c17-11-16(6-2-1-3-7-16)18-15(19)12-4-5-13-9-20-10-14(13)8-12/h4-5,8H,1-3,6-7,9-10H2,(H,18,19)
InChIKeyGLOGBWOWJIRJEY-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.67
Rot. Bonds2

About N-(1-cyanocyclohexyl)-1,3-dihydro-2-benzofuran-5-carboxamide

N-(1-cyanocyclohexyl)-1,3-dihydro-2-benzofuran-5-carboxamide (PubChem CID 62113316) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is N-(1-cyanocyclohexyl)-1,3-dihydro-2-benzofuran-5-carboxamide.

Molecular Properties

Compound NameN-(1-cyanocyclohexyl)-1,3-dihydro-2-benzofuran-5-carboxamide
PubChem CID62113316
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC NameN-(1-cyanocyclohexyl)-1,3-dihydro-2-benzofuran-5-carboxamide
SMILESN#CC1(NC(=O)c2ccc3c(c2)COC3)CCCCC1
InChIInChI=1S/C16H18N2O2/c17-11-16(6-2-1-3-7-16)18-15(19)12-4-5-13-9-20-10-14(13)8-12/h4-5,8H,1-3,6-7,9-10H2,(H,18,19)
InChIKeyGLOGBWOWJIRJEY-UHFFFAOYSA-N
XLogP2.67
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-cyanocyclohexyl)-4-hydroxybenzamide
CID 60717123
N-(1-cyanocyclohexyl)-3-hydroxy-4-methylbenzamide
CID 60718518
1-(1,3-dihydro-2-benzofuran-5-carbonylamino)cyclopropane-1-carboxylic acid
CID 65452808
N-(1-cyanocyclooctyl)-3-fluorobenzamide
CID 60968532
N-(1-cyanocycloheptyl)-3-iodobenzamide
CID 54904742
N-(1-cyanocycloheptyl)-3,5-dihydroxybenzamide
CID 104938860
N-(1-cyanocyclopentyl)-4-fluorobenzamide
CID 60660161
N-(1-cyanocycloheptyl)furan-3-carboxamide
CID 54904387
3-bromo-N-(1-cyanocyclopentyl)-4-fluorobenzamide
CID 103707335
N-(1-cyanocycloheptyl)-4-(dimethylamino)benzamide
CID 60966830
N-(1-cyanocyclopentyl)-3-iodobenzamide
CID 60659200
N-(1-cyanocycloheptyl)-3-methoxybenzamide
CID 60967258

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclohexyl)-1,3-dihydro-2-benzofuran-5-carboxamide?
The IUPAC name of N-(1-cyanocyclohexyl)-1,3-dihydro-2-benzofuran-5-carboxamide (CID 62113316) is N-(1-cyanocyclohexyl)-1,3-dihydro-2-benzofuran-5-carboxamide.
What is the SMILES notation for N-(1-cyanocyclohexyl)-1,3-dihydro-2-benzofuran-5-carboxamide?
The canonical SMILES for N-(1-cyanocyclohexyl)-1,3-dihydro-2-benzofuran-5-carboxamide is N#CC1(NC(=O)c2ccc3c(c2)COC3)CCCCC1.
What is the InChIKey of N-(1-cyanocyclohexyl)-1,3-dihydro-2-benzofuran-5-carboxamide?
The InChIKey is GLOGBWOWJIRJEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c17-11-16(6-2-1-3-7-16)18-15(19)12-4-5-13-9-20-10-14(13)8-12/h4-5,8H,1-3,6-7,9-10H2,(H,18,19).
What are the key properties of N-(1-cyanocyclohexyl)-1,3-dihydro-2-benzofuran-5-carboxamide?
N-(1-cyanocyclohexyl)-1,3-dihydro-2-benzofuran-5-carboxamide has a molecular weight of 270.33 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclohexyl)-1,3-dihydro-2-benzofuran-5-carboxamide is sourced from PubChem (CID 62113316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).