N-[(3-cyanophenyl)methyl]-N-methyl-1-benzofuran-2-carboxamide

C18H14N2O2 — CID 86925685

IUPACN-[(3-cyanophenyl)methyl]-N-methyl-1-benzofuran-2-carboxamide
SMILESCN(Cc1cccc(C#N)c1)C(=O)c1cc2ccccc2o1
InChIInChI=1S/C18H14N2O2/c1-20(12-14-6-4-5-13(9-14)11-19)18(21)17-10-15-7-2-3-8-16(15)22-17/h2-10H,12H2,1H3
InChIKeyRYNPEUQIYDVKIF-UHFFFAOYSA-N
MW290.32 g/mol
LogP3.58
Rot. Bonds3

About N-[(3-cyanophenyl)methyl]-N-methyl-1-benzofuran-2-carboxamide

N-[(3-cyanophenyl)methyl]-N-methyl-1-benzofuran-2-carboxamide (PubChem CID 86925685) has the molecular formula C18H14N2O2 and a molecular weight of 290.32 g/mol. Its IUPAC name is N-[(3-cyanophenyl)methyl]-N-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(3-cyanophenyl)methyl]-N-methyl-1-benzofuran-2-carboxamide
PubChem CID86925685
Molecular FormulaC18H14N2O2
Molecular Weight290.32 g/mol
Exact Mass290.11
IUPAC NameN-[(3-cyanophenyl)methyl]-N-methyl-1-benzofuran-2-carboxamide
SMILESCN(Cc1cccc(C#N)c1)C(=O)c1cc2ccccc2o1
InChIInChI=1S/C18H14N2O2/c1-20(12-14-6-4-5-13(9-14)11-19)18(21)17-10-15-7-2-3-8-16(15)22-17/h2-10H,12H2,1H3
InChIKeyRYNPEUQIYDVKIF-UHFFFAOYSA-N
XLogP3.58
TPSA57.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-cyanophenyl)methyl]-N-methylbenzamide
CID 47161976
N-(4-cyanophenyl)-N-methyl-1-benzofuran-2-carboxamide
CID 62983453
N-[(3-cyanophenyl)methyl]-3-hydroxy-N-methylbenzamide
CID 62968287
5-amino-2-chloro-N-[(3-cyanophenyl)methyl]-N-methylbenzamide
CID 61104833
1-[(3-cyanophenyl)methyl]-1,3,3-trimethylurea
CID 112726627
N-[(3-cyanophenyl)methyl]-N-methylthiophene-2-carboxamide
CID 47161979
6-chloro-N-[(3-cyanophenyl)methyl]-N-methylpyridine-2-carboxamide
CID 62233483
5-amino-N-[(3-cyanophenyl)methyl]-N-methylpyridine-2-carboxamide
CID 81316278
N-[(5-bromothiophen-3-yl)methyl]-N-methyl-1-benzofuran-2-carboxamide
CID 47389196
N-[(3-cyanophenyl)methyl]-N-methyl-3-sulfanylbenzamide
CID 107028981
2-chloro-N-[(3-cyanophenyl)methyl]-N-methylacetamide
CID 60949916
N-[(3-cyanophenyl)methyl]-5-hydroxy-N-methylpyridine-3-carboxamide
CID 63859996

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyanophenyl)methyl]-N-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-[(3-cyanophenyl)methyl]-N-methyl-1-benzofuran-2-carboxamide (CID 86925685) is N-[(3-cyanophenyl)methyl]-N-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[(3-cyanophenyl)methyl]-N-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[(3-cyanophenyl)methyl]-N-methyl-1-benzofuran-2-carboxamide is CN(Cc1cccc(C#N)c1)C(=O)c1cc2ccccc2o1.
What is the InChIKey of N-[(3-cyanophenyl)methyl]-N-methyl-1-benzofuran-2-carboxamide?
The InChIKey is RYNPEUQIYDVKIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O2/c1-20(12-14-6-4-5-13(9-14)11-19)18(21)17-10-15-7-2-3-8-16(15)22-17/h2-10H,12H2,1H3.
What are the key properties of N-[(3-cyanophenyl)methyl]-N-methyl-1-benzofuran-2-carboxamide?
N-[(3-cyanophenyl)methyl]-N-methyl-1-benzofuran-2-carboxamide has a molecular weight of 290.32 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyanophenyl)methyl]-N-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 86925685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).