N-(1-cyanoethyl)-1-benzofuran-2-carboxamide

C12H10N2O2 — CID 61119262

IUPACN-(1-cyanoethyl)-1-benzofuran-2-carboxamide
SMILESCC(C#N)NC(=O)c1cc2ccccc2o1
InChIInChI=1S/C12H10N2O2/c1-8(7-13)14-12(15)11-6-9-4-2-3-5-10(9)16-11/h2-6,8H,1H3,(H,14,15)
InChIKeyFUDZAYUSLNNQLP-UHFFFAOYSA-N
MW214.22 g/mol
LogP2.07
Rot. Bonds2

About N-(1-cyanoethyl)-1-benzofuran-2-carboxamide

N-(1-cyanoethyl)-1-benzofuran-2-carboxamide (PubChem CID 61119262) has the molecular formula C12H10N2O2 and a molecular weight of 214.22 g/mol. Its IUPAC name is N-(1-cyanoethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(1-cyanoethyl)-1-benzofuran-2-carboxamide
PubChem CID61119262
Molecular FormulaC12H10N2O2
Molecular Weight214.22 g/mol
Exact Mass214.07
IUPAC NameN-(1-cyanoethyl)-1-benzofuran-2-carboxamide
SMILESCC(C#N)NC(=O)c1cc2ccccc2o1
InChIInChI=1S/C12H10N2O2/c1-8(7-13)14-12(15)11-6-9-4-2-3-5-10(9)16-11/h2-6,8H,1H3,(H,14,15)
InChIKeyFUDZAYUSLNNQLP-UHFFFAOYSA-N
XLogP2.07
TPSA66.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-cyano-2-methylpropyl)-1-benzofuran-2-carboxamide
CID 63941032
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-(4-aminopentan-2-yl)-1-benzofuran-2-carboxamide
CID 113376830
N-benzhydryl-1-benzofuran-2-carboxamide
CID 880613
N-(1-hydroxy-4-methylpentan-3-yl)-1-benzofuran-2-carboxamide
CID 103751093
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-(2-chloropropyl)-1-benzofuran-2-carboxamide
CID 114296217
methyl 2-(1-benzofuran-2-carbonylamino)-3-hydroxypropanoate
CID 43405796

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanoethyl)-1-benzofuran-2-carboxamide?
The IUPAC name of N-(1-cyanoethyl)-1-benzofuran-2-carboxamide (CID 61119262) is N-(1-cyanoethyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(1-cyanoethyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(1-cyanoethyl)-1-benzofuran-2-carboxamide is CC(C#N)NC(=O)c1cc2ccccc2o1.
What is the InChIKey of N-(1-cyanoethyl)-1-benzofuran-2-carboxamide?
The InChIKey is FUDZAYUSLNNQLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O2/c1-8(7-13)14-12(15)11-6-9-4-2-3-5-10(9)16-11/h2-6,8H,1H3,(H,14,15).
What are the key properties of N-(1-cyanoethyl)-1-benzofuran-2-carboxamide?
N-(1-cyanoethyl)-1-benzofuran-2-carboxamide has a molecular weight of 214.22 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanoethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 61119262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).