N-(5-cyano-2-methylphenyl)-5-methylfuran-2-carboxamide

C14H12N2O2 — CID 47475916

IUPACN-(5-cyano-2-methylphenyl)-5-methylfuran-2-carboxamide
SMILESCc1ccc(C(=O)Nc2cc(C#N)ccc2C)o1
InChIInChI=1S/C14H12N2O2/c1-9-3-5-11(8-15)7-12(9)16-14(17)13-6-4-10(2)18-13/h3-7H,1-2H3,(H,16,17)
InChIKeyWRPDLIUVVKNCML-UHFFFAOYSA-N
MW240.26 g/mol
LogP3.02
Rot. Bonds2

About N-(5-cyano-2-methylphenyl)-5-methylfuran-2-carboxamide

N-(5-cyano-2-methylphenyl)-5-methylfuran-2-carboxamide (PubChem CID 47475916) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is N-(5-cyano-2-methylphenyl)-5-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-(5-cyano-2-methylphenyl)-5-methylfuran-2-carboxamide
PubChem CID47475916
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC NameN-(5-cyano-2-methylphenyl)-5-methylfuran-2-carboxamide
SMILESCc1ccc(C(=O)Nc2cc(C#N)ccc2C)o1
InChIInChI=1S/C14H12N2O2/c1-9-3-5-11(8-15)7-12(9)16-14(17)13-6-4-10(2)18-13/h3-7H,1-2H3,(H,16,17)
InChIKeyWRPDLIUVVKNCML-UHFFFAOYSA-N
XLogP3.02
TPSA66.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-4-cyanophenyl)-5-methylfuran-2-carboxamide
CID 78965516
N-[5-(4-hydroxybut-1-ynyl)-2-methylphenyl]-5-methylfuran-2-carboxamide
CID 60802341
5-[(5-cyano-2-methylphenyl)carbamoyl]furan-3-carboxylic acid
CID 104607480
methyl N-(5-cyano-2-methylphenyl)carbamate
CID 62065723
N-(2-cyano-4-fluorophenyl)-5-methylfuran-2-carboxamide
CID 79954179
N-(5-cyano-2-methylphenyl)-2,6-difluoro-3-methylbenzamide
CID 82797664
N-(5-cyano-2-methylphenyl)-2,3-dimethylbenzamide
CID 47475875
2,6-dichloro-N-(5-cyano-2-methylphenyl)benzamide
CID 62105070
N-(5-cyano-2-methylphenyl)-3-fluoro-4-methylbenzamide
CID 47475953
2-bromo-N-(5-cyano-2-methylphenyl)furan-3-carboxamide
CID 106852116
N-(5-cyano-2-methylphenyl)-2-fluorobenzamide
CID 47475835
N-(5-cyano-2-methylphenyl)-2,5-dihydroxybenzamide
CID 107721998

Frequently Asked Questions

What is the IUPAC name of N-(5-cyano-2-methylphenyl)-5-methylfuran-2-carboxamide?
The IUPAC name of N-(5-cyano-2-methylphenyl)-5-methylfuran-2-carboxamide (CID 47475916) is N-(5-cyano-2-methylphenyl)-5-methylfuran-2-carboxamide.
What is the SMILES notation for N-(5-cyano-2-methylphenyl)-5-methylfuran-2-carboxamide?
The canonical SMILES for N-(5-cyano-2-methylphenyl)-5-methylfuran-2-carboxamide is Cc1ccc(C(=O)Nc2cc(C#N)ccc2C)o1.
What is the InChIKey of N-(5-cyano-2-methylphenyl)-5-methylfuran-2-carboxamide?
The InChIKey is WRPDLIUVVKNCML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2/c1-9-3-5-11(8-15)7-12(9)16-14(17)13-6-4-10(2)18-13/h3-7H,1-2H3,(H,16,17).
What are the key properties of N-(5-cyano-2-methylphenyl)-5-methylfuran-2-carboxamide?
N-(5-cyano-2-methylphenyl)-5-methylfuran-2-carboxamide has a molecular weight of 240.26 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyano-2-methylphenyl)-5-methylfuran-2-carboxamide is sourced from PubChem (CID 47475916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).