N-(1-cyano-2-methylpropyl)-1-benzofuran-2-carboxamide

C14H14N2O2 — CID 63941032

IUPACN-(1-cyano-2-methylpropyl)-1-benzofuran-2-carboxamide
SMILESCC(C)C(C#N)NC(=O)c1cc2ccccc2o1
InChIInChI=1S/C14H14N2O2/c1-9(2)11(8-15)16-14(17)13-7-10-5-3-4-6-12(10)18-13/h3-7,9,11H,1-2H3,(H,16,17)
InChIKeyPOTRFMQHWKSEGF-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.71
Rot. Bonds3

About N-(1-cyano-2-methylpropyl)-1-benzofuran-2-carboxamide

N-(1-cyano-2-methylpropyl)-1-benzofuran-2-carboxamide (PubChem CID 63941032) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is N-(1-cyano-2-methylpropyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(1-cyano-2-methylpropyl)-1-benzofuran-2-carboxamide
PubChem CID63941032
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC NameN-(1-cyano-2-methylpropyl)-1-benzofuran-2-carboxamide
SMILESCC(C)C(C#N)NC(=O)c1cc2ccccc2o1
InChIInChI=1S/C14H14N2O2/c1-9(2)11(8-15)16-14(17)13-7-10-5-3-4-6-12(10)18-13/h3-7,9,11H,1-2H3,(H,16,17)
InChIKeyPOTRFMQHWKSEGF-UHFFFAOYSA-N
XLogP2.71
TPSA66.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-cyanoethyl)-1-benzofuran-2-carboxamide
CID 61119262
methyl 2-(1-benzofuran-2-carbonylamino)propanoate
CID 19167935
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-1-benzofuran-2-carboxamide
CID 9366962
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-1-benzofuran-2-carboxamide
CID 9366960
N-(1-hydroxy-4-methylpentan-3-yl)-1-benzofuran-2-carboxamide
CID 103751093
N-(4-aminopentan-2-yl)-1-benzofuran-2-carboxamide
CID 113376830
N-(1-cyano-2-methylpropyl)-1-benzothiophene-2-carboxamide
CID 63931473
N-benzhydryl-1-benzofuran-2-carboxamide
CID 880613
N-[1-(4-carbamoylphenyl)ethyl]-1-benzofuran-2-carboxamide
CID 123325602
N-(1-amino-4-methylpentan-2-yl)-1-benzofuran-2-carboxamide;hydrochloride
CID 119585558
N-[(1R)-1-(4-methoxyphenyl)ethyl]-1-benzofuran-2-carboxamide
CID 39358745
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-benzofuran-2-carboxamide
CID 4876620

Frequently Asked Questions

What is the IUPAC name of N-(1-cyano-2-methylpropyl)-1-benzofuran-2-carboxamide?
The IUPAC name of N-(1-cyano-2-methylpropyl)-1-benzofuran-2-carboxamide (CID 63941032) is N-(1-cyano-2-methylpropyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(1-cyano-2-methylpropyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(1-cyano-2-methylpropyl)-1-benzofuran-2-carboxamide is CC(C)C(C#N)NC(=O)c1cc2ccccc2o1.
What is the InChIKey of N-(1-cyano-2-methylpropyl)-1-benzofuran-2-carboxamide?
The InChIKey is POTRFMQHWKSEGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-9(2)11(8-15)16-14(17)13-7-10-5-3-4-6-12(10)18-13/h3-7,9,11H,1-2H3,(H,16,17).
What are the key properties of N-(1-cyano-2-methylpropyl)-1-benzofuran-2-carboxamide?
N-(1-cyano-2-methylpropyl)-1-benzofuran-2-carboxamide has a molecular weight of 242.28 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyano-2-methylpropyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 63941032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).