N-[(4-cyanophenyl)methyl]-2,5-dimethylfuran-3-carboxamide

C15H14N2O2 — CID 47161865

IUPACN-[(4-cyanophenyl)methyl]-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)NCc2ccc(C#N)cc2)c(C)o1
InChIInChI=1S/C15H14N2O2/c1-10-7-14(11(2)19-10)15(18)17-9-13-5-3-12(8-16)4-6-13/h3-7H,9H2,1-2H3,(H,17,18)
InChIKeyWSSIANDHMFQILL-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.70
Rot. Bonds3

About N-[(4-cyanophenyl)methyl]-2,5-dimethylfuran-3-carboxamide

N-[(4-cyanophenyl)methyl]-2,5-dimethylfuran-3-carboxamide (PubChem CID 47161865) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is N-[(4-cyanophenyl)methyl]-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[(4-cyanophenyl)methyl]-2,5-dimethylfuran-3-carboxamide
PubChem CID47161865
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC NameN-[(4-cyanophenyl)methyl]-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)NCc2ccc(C#N)cc2)c(C)o1
InChIInChI=1S/C15H14N2O2/c1-10-7-14(11(2)19-10)15(18)17-9-13-5-3-12(8-16)4-6-13/h3-7H,9H2,1-2H3,(H,17,18)
InChIKeyWSSIANDHMFQILL-UHFFFAOYSA-N
XLogP2.70
TPSA66.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-cyano-N-[(2,5-dimethylfuran-3-yl)methyl]benzamide
CID 90536031
4-[[(2,5-dimethylfuran-3-carbonyl)amino]methyl]-5-methylfuran-2-carboxylic acid
CID 844983
N-[(4-cyanophenyl)methyl]-2,6-dimethylpyridine-3-carboxamide
CID 47283449
4-bromo-N-[(4-cyanophenyl)methyl]-2-hydroxybenzamide
CID 47466194
N-[[4-(furan-2-carbonylamino)phenyl]methyl]-2,5-dimethylfuran-3-carboxamide
CID 42018071
N-[(4-cyanophenyl)methyl]-2-methylpyridine-3-carboxamide
CID 78951088
3-chloro-N-[(4-cyanophenyl)methyl]-2-methylbenzamide
CID 107096765
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2,5-dimethylfuran-3-carboxamide
CID 34906914
2-(4-cyanophenyl)-N-[(4-methylphenyl)methyl]acetamide
CID 62403486
N-[(4-cyanophenyl)methyl]-4,5-dimethylthiophene-2-carboxamide
CID 60736885
N-[(4-cyanophenyl)methyl]-2,6-dimethylquinoline-4-carboxamide
CID 134035263
N-[2-[2-[(4-fluorophenyl)methylcarbamothioyl]hydrazinyl]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide
CID 86822231

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyanophenyl)methyl]-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-[(4-cyanophenyl)methyl]-2,5-dimethylfuran-3-carboxamide (CID 47161865) is N-[(4-cyanophenyl)methyl]-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-[(4-cyanophenyl)methyl]-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-[(4-cyanophenyl)methyl]-2,5-dimethylfuran-3-carboxamide is Cc1cc(C(=O)NCc2ccc(C#N)cc2)c(C)o1.
What is the InChIKey of N-[(4-cyanophenyl)methyl]-2,5-dimethylfuran-3-carboxamide?
The InChIKey is WSSIANDHMFQILL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c1-10-7-14(11(2)19-10)15(18)17-9-13-5-3-12(8-16)4-6-13/h3-7H,9H2,1-2H3,(H,17,18).
What are the key properties of N-[(4-cyanophenyl)methyl]-2,5-dimethylfuran-3-carboxamide?
N-[(4-cyanophenyl)methyl]-2,5-dimethylfuran-3-carboxamide has a molecular weight of 254.29 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyanophenyl)methyl]-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 47161865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).