N-[cyano(furan-2-yl)methyl]-4-methylbenzamide

C14H12N2O2 — CID 13075830

IUPACN-[cyano(furan-2-yl)methyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC(C#N)c2ccco2)cc1
InChIInChI=1S/C14H12N2O2/c1-10-4-6-11(7-5-10)14(17)16-12(9-15)13-3-2-8-18-13/h2-8,12H,1H3,(H,16,17)
InChIKeyRHNYGBUPHSRXSX-UHFFFAOYSA-N
MW240.26 g/mol
LogP2.58
Rot. Bonds3

About N-[cyano(furan-2-yl)methyl]-4-methylbenzamide

N-[cyano(furan-2-yl)methyl]-4-methylbenzamide (PubChem CID 13075830) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is N-[cyano(furan-2-yl)methyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[cyano(furan-2-yl)methyl]-4-methylbenzamide
PubChem CID13075830
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC NameN-[cyano(furan-2-yl)methyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC(C#N)c2ccco2)cc1
InChIInChI=1S/C14H12N2O2/c1-10-4-6-11(7-5-10)14(17)16-12(9-15)13-3-2-8-18-13/h2-8,12H,1H3,(H,16,17)
InChIKeyRHNYGBUPHSRXSX-UHFFFAOYSA-N
XLogP2.58
TPSA66.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[cyano(phenyl)methyl]-4-methylbenzamide
CID 10399858
3-bromo-N-[cyano(furan-2-yl)methyl]benzamide
CID 82124792
2-(furan-2-yl)-2-[(4-methylbenzoyl)amino]acetic acid
CID 82089753
N-[cyano(furan-2-yl)methyl]-2,2-dimethylpropanamide
CID 13075793
N-[cyano(furan-2-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 14624271
4-cyano-N-[(1R)-1-(furan-2-yl)ethyl]benzamide
CID 9481732
N-[2-(furan-2-yl)-2-methoxyethyl]-4-methylbenzamide
CID 121145461
N-[1-[[2-(furan-2-yl)-2-hydroxyethyl]amino]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide
CID 110889321
N-[cyano-(4-methylphenyl)methyl]-3-fluorobenzamide
CID 82123290
2-(furan-2-yl)-2-(iodoamino)acetonitrile
CID 146552435
N-[cyano-(2-methylphenyl)methyl]-4-fluorobenzamide
CID 82123285
N-[cyano-(4-methylphenyl)methyl]-3-(dimethylamino)benzamide
CID 110664187

Frequently Asked Questions

What is the IUPAC name of N-[cyano(furan-2-yl)methyl]-4-methylbenzamide?
The IUPAC name of N-[cyano(furan-2-yl)methyl]-4-methylbenzamide (CID 13075830) is N-[cyano(furan-2-yl)methyl]-4-methylbenzamide.
What is the SMILES notation for N-[cyano(furan-2-yl)methyl]-4-methylbenzamide?
The canonical SMILES for N-[cyano(furan-2-yl)methyl]-4-methylbenzamide is Cc1ccc(C(=O)NC(C#N)c2ccco2)cc1.
What is the InChIKey of N-[cyano(furan-2-yl)methyl]-4-methylbenzamide?
The InChIKey is RHNYGBUPHSRXSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2/c1-10-4-6-11(7-5-10)14(17)16-12(9-15)13-3-2-8-18-13/h2-8,12H,1H3,(H,16,17).
What are the key properties of N-[cyano(furan-2-yl)methyl]-4-methylbenzamide?
N-[cyano(furan-2-yl)methyl]-4-methylbenzamide has a molecular weight of 240.26 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyano(furan-2-yl)methyl]-4-methylbenzamide is sourced from PubChem (CID 13075830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).