N-(4-cyanophenyl)-N-methyl-1-benzofuran-2-carboxamide

C17H12N2O2 — CID 62983453

IUPACN-(4-cyanophenyl)-N-methyl-1-benzofuran-2-carboxamide
SMILESCN(C(=O)c1cc2ccccc2o1)c1ccc(C#N)cc1
InChIInChI=1S/C17H12N2O2/c1-19(14-8-6-12(11-18)7-9-14)17(20)16-10-13-4-2-3-5-15(13)21-16/h2-10H,1H3
InChIKeyYVKVHCSXBOFFGE-UHFFFAOYSA-N
MW276.30 g/mol
LogP3.58
Rot. Bonds2

About N-(4-cyanophenyl)-N-methyl-1-benzofuran-2-carboxamide

N-(4-cyanophenyl)-N-methyl-1-benzofuran-2-carboxamide (PubChem CID 62983453) has the molecular formula C17H12N2O2 and a molecular weight of 276.30 g/mol. Its IUPAC name is N-(4-cyanophenyl)-N-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-N-methyl-1-benzofuran-2-carboxamide
PubChem CID62983453
Molecular FormulaC17H12N2O2
Molecular Weight276.30 g/mol
Exact Mass276.09
IUPAC NameN-(4-cyanophenyl)-N-methyl-1-benzofuran-2-carboxamide
SMILESCN(C(=O)c1cc2ccccc2o1)c1ccc(C#N)cc1
InChIInChI=1S/C17H12N2O2/c1-19(14-8-6-12(11-18)7-9-14)17(20)16-10-13-4-2-3-5-15(13)21-16/h2-10H,1H3
InChIKeyYVKVHCSXBOFFGE-UHFFFAOYSA-N
XLogP3.58
TPSA57.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-cyanophenyl)methyl]-N-methyl-1-benzofuran-2-carboxamide
CID 86925685
[4-[methyl-(4-methylbenzoyl)amino]phenyl] 1-benzofuran-2-carboxylate
CID 33186848
2-[1-benzofuran-2-carbonyl(methyl)amino]benzoic acid
CID 43823107
N-(4-cyanophenyl)-N,2-dimethylbenzamide
CID 62982757
N-(4-cyanophenyl)-N-methyl-5-nitrofuran-2-carboxamide
CID 62983455
N-(4-cyanophenyl)-3-(dimethylamino)-N-methylbenzamide
CID 62983461
N-[(Z)-(4-cyanophenyl)methylideneamino]-1-benzofuran-2-carboxamide
CID 5411313
[(2R)-1-(4-cyanoanilino)-1-oxopropan-2-yl] 1-benzofuran-2-carboxylate
CID 7284182
N-(4-cyanophenyl)-N,2,4-trimethylbenzamide
CID 62982931
N-(4-cyanophenyl)-N-methyl-3-sulfanylbenzamide
CID 107028997
N'-[2-(4-cyanophenoxy)acetyl]-1-benzofuran-2-carbohydrazide
CID 26847603
5-amino-2-bromo-N-(4-cyanophenyl)-N-methylbenzamide
CID 62983322

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-N-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-(4-cyanophenyl)-N-methyl-1-benzofuran-2-carboxamide (CID 62983453) is N-(4-cyanophenyl)-N-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(4-cyanophenyl)-N-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(4-cyanophenyl)-N-methyl-1-benzofuran-2-carboxamide is CN(C(=O)c1cc2ccccc2o1)c1ccc(C#N)cc1.
What is the InChIKey of N-(4-cyanophenyl)-N-methyl-1-benzofuran-2-carboxamide?
The InChIKey is YVKVHCSXBOFFGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O2/c1-19(14-8-6-12(11-18)7-9-14)17(20)16-10-13-4-2-3-5-15(13)21-16/h2-10H,1H3.
What are the key properties of N-(4-cyanophenyl)-N-methyl-1-benzofuran-2-carboxamide?
N-(4-cyanophenyl)-N-methyl-1-benzofuran-2-carboxamide has a molecular weight of 276.30 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-N-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 62983453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).