N-(2-cyanophenyl)-4-methylbenzamide

C15H12N2O — CID 2542047

IUPACN-(2-cyanophenyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccccc2C#N)cc1
InChIInChI=1S/C15H12N2O/c1-11-6-8-12(9-7-11)15(18)17-14-5-3-2-4-13(14)10-16/h2-9H,1H3,(H,17,18)
InChIKeyJUIKXWAWMAJZRT-UHFFFAOYSA-N
MW236.27 g/mol
LogP3.12
Rot. Bonds2

About N-(2-cyanophenyl)-4-methylbenzamide

N-(2-cyanophenyl)-4-methylbenzamide (PubChem CID 2542047) has the molecular formula C15H12N2O and a molecular weight of 236.27 g/mol. Its IUPAC name is N-(2-cyanophenyl)-4-methylbenzamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-4-methylbenzamide
PubChem CID2542047
Molecular FormulaC15H12N2O
Molecular Weight236.27 g/mol
Exact Mass236.09
IUPAC NameN-(2-cyanophenyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccccc2C#N)cc1
InChIInChI=1S/C15H12N2O/c1-11-6-8-12(9-7-11)15(18)17-14-5-3-2-4-13(14)10-16/h2-9H,1H3,(H,17,18)
InChIKeyJUIKXWAWMAJZRT-UHFFFAOYSA-N
XLogP3.12
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-benzamido-N-(2-cyanophenyl)-4-methylbenzamide
CID 17226453
4-N-(2-cyanophenyl)-1-N-(3,4-dimethylphenyl)benzene-1,4-dicarboxamide
CID 109049652
N-(2-cyanophenyl)-4-(trifluoromethyl)benzamide
CID 9115538
4-N-(2-cyanophenyl)-1-N-(4-cyanophenyl)benzene-1,4-dicarboxamide
CID 109050250
N-(2-cyano-4-fluorophenyl)-4-methylbenzamide
CID 79947423
N-(5-chloro-2-cyanophenyl)-4-methylbenzamide
CID 60628684
N-(2-cyanophenyl)-4-pyrrol-1-ylbenzamide
CID 110295266
ethane;4-methyl-N-(2-methylphenyl)benzamide
CID 145337643
[4-[(2-cyanophenyl)carbamoyl]phenyl] propanoate
CID 2996679
3-N-(2-cyanophenyl)-1-N-(3-methylphenyl)benzene-1,3-dicarboxamide
CID 109056947
N-(2-cyanophenyl)-1,3-dimethyl-2-oxobenzimidazole-5-carboxamide
CID 110765482
3,4-dichloro-N-(2-cyanophenyl)benzamide
CID 798668

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-4-methylbenzamide?
The IUPAC name of N-(2-cyanophenyl)-4-methylbenzamide (CID 2542047) is N-(2-cyanophenyl)-4-methylbenzamide.
What is the SMILES notation for N-(2-cyanophenyl)-4-methylbenzamide?
The canonical SMILES for N-(2-cyanophenyl)-4-methylbenzamide is Cc1ccc(C(=O)Nc2ccccc2C#N)cc1.
What is the InChIKey of N-(2-cyanophenyl)-4-methylbenzamide?
The InChIKey is JUIKXWAWMAJZRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O/c1-11-6-8-12(9-7-11)15(18)17-14-5-3-2-4-13(14)10-16/h2-9H,1H3,(H,17,18).
What are the key properties of N-(2-cyanophenyl)-4-methylbenzamide?
N-(2-cyanophenyl)-4-methylbenzamide has a molecular weight of 236.27 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-4-methylbenzamide is sourced from PubChem (CID 2542047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).