N-(1-cyanocyclohexyl)-5-methyl-1-benzofuran-2-carboxamide

C17H18N2O2 — CID 61150971

IUPACN-(1-cyanocyclohexyl)-5-methyl-1-benzofuran-2-carboxamide
SMILESCc1ccc2oc(C(=O)NC3(C#N)CCCCC3)cc2c1
InChIInChI=1S/C17H18N2O2/c1-12-5-6-14-13(9-12)10-15(21-14)16(20)19-17(11-18)7-3-2-4-8-17/h5-6,9-10H,2-4,7-8H2,1H3,(H,19,20)
InChIKeyQIBDTPKONPBSOD-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.70
Rot. Bonds2

About N-(1-cyanocyclohexyl)-5-methyl-1-benzofuran-2-carboxamide

N-(1-cyanocyclohexyl)-5-methyl-1-benzofuran-2-carboxamide (PubChem CID 61150971) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is N-(1-cyanocyclohexyl)-5-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(1-cyanocyclohexyl)-5-methyl-1-benzofuran-2-carboxamide
PubChem CID61150971
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC NameN-(1-cyanocyclohexyl)-5-methyl-1-benzofuran-2-carboxamide
SMILESCc1ccc2oc(C(=O)NC3(C#N)CCCCC3)cc2c1
InChIInChI=1S/C17H18N2O2/c1-12-5-6-14-13(9-12)10-15(21-14)16(20)19-17(11-18)7-3-2-4-8-17/h5-6,9-10H,2-4,7-8H2,1H3,(H,19,20)
InChIKeyQIBDTPKONPBSOD-UHFFFAOYSA-N
XLogP3.70
TPSA66.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(hydroxymethyl)oxan-4-yl]-5-methyl-1-benzofuran-2-carboxamide
CID 103954201
N-(1-cyanocyclooctyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 60968675
N-cyclopentyl-5-methyl-1-benzofuran-2-carboxamide
CID 17015654
N-[1-[(1-cyanocyclopropyl)carbamoyl]cyclohexyl]-6-(2-fluoro-4-methylphenyl)-1-benzofuran-2-carboxamide;sulfur dioxide
CID 159215589
N-(1-cyanocycloheptyl)-5-ethylfuran-2-carboxamide
CID 112731234
N-(1-cyanocyclopentyl)-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 78830320
N-(1-cyanocyclooctyl)furan-2-carboxamide
CID 54904517
[(2S)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] 1-benzofuran-2-carboxylate
CID 7193924
N-(1-cyanocyclohexyl)-3-hydroxy-4-methylbenzamide
CID 60718518
1-(5-methyl-1-benzofuran-2-yl)ethanone
CID 15549614
1-(1-cyanocycloheptyl)-3-(4-methylphenyl)urea
CID 61125014
(1-methoxycyclobutyl)-(5-methyl-1-benzofuran-2-yl)methanone
CID 114726107

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclohexyl)-5-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-(1-cyanocyclohexyl)-5-methyl-1-benzofuran-2-carboxamide (CID 61150971) is N-(1-cyanocyclohexyl)-5-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(1-cyanocyclohexyl)-5-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(1-cyanocyclohexyl)-5-methyl-1-benzofuran-2-carboxamide is Cc1ccc2oc(C(=O)NC3(C#N)CCCCC3)cc2c1.
What is the InChIKey of N-(1-cyanocyclohexyl)-5-methyl-1-benzofuran-2-carboxamide?
The InChIKey is QIBDTPKONPBSOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-12-5-6-14-13(9-12)10-15(21-14)16(20)19-17(11-18)7-3-2-4-8-17/h5-6,9-10H,2-4,7-8H2,1H3,(H,19,20).
What are the key properties of N-(1-cyanocyclohexyl)-5-methyl-1-benzofuran-2-carboxamide?
N-(1-cyanocyclohexyl)-5-methyl-1-benzofuran-2-carboxamide has a molecular weight of 282.34 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclohexyl)-5-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 61150971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).