4-(cyanomethyl)-N-(3,4-dimethylphenyl)benzamide

C17H16N2O — CID 82179426

IUPAC4-(cyanomethyl)-N-(3,4-dimethylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(CC#N)cc2)cc1C
InChIInChI=1S/C17H16N2O/c1-12-3-8-16(11-13(12)2)19-17(20)15-6-4-14(5-7-15)9-10-18/h3-8,11H,9H2,1-2H3,(H,19,20)
InChIKeyWJLPZBJSQLWFRO-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.62
Rot. Bonds3

About 4-(cyanomethyl)-N-(3,4-dimethylphenyl)benzamide

4-(cyanomethyl)-N-(3,4-dimethylphenyl)benzamide (PubChem CID 82179426) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is 4-(cyanomethyl)-N-(3,4-dimethylphenyl)benzamide.

Molecular Properties

Compound Name4-(cyanomethyl)-N-(3,4-dimethylphenyl)benzamide
PubChem CID82179426
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name4-(cyanomethyl)-N-(3,4-dimethylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(CC#N)cc2)cc1C
InChIInChI=1S/C17H16N2O/c1-12-3-8-16(11-13(12)2)19-17(20)15-6-4-14(5-7-15)9-10-18/h3-8,11H,9H2,1-2H3,(H,19,20)
InChIKeyWJLPZBJSQLWFRO-UHFFFAOYSA-N
XLogP3.62
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(cyanomethyl)anilino]-N-(3,4-dimethylphenyl)propanamide
CID 86919171
N-[4-(cyanomethyl)phenyl]-4-(methanesulfonamido)-3-methylbenzamide
CID 19062669
2-cyano-N-(3,4-dimethylphenyl)acetamide
CID 2345033
1-N-(4-acetylphenyl)-4-N-(3,4-dimethylphenyl)benzene-1,4-dicarboxamide
CID 109049646
N-[4-(cyanomethyl)phenyl]-3,4-dihydroxybenzamide
CID 103955439
4-N-(2-cyanophenyl)-1-N-(3,4-dimethylphenyl)benzene-1,4-dicarboxamide
CID 109049652
3,4-dichloro-N-[4-(cyanomethyl)phenyl]benzamide
CID 674696
N-[4-(cyanomethyl)phenyl]-4-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 1249944
N-[4-(hydroxymethyl)phenyl]-3,4-dimethylbenzamide
CID 64793175
N-[4-(cyanomethyl)phenyl]-2,6-difluoro-3-methylbenzamide
CID 82797666
4-(cyanomethyl)-N-(2-methoxy-5-methylphenyl)benzamide
CID 82179481
N-(3,4-dimethylphenyl)-3-(1,2,2-tricyanoethenylamino)benzamide
CID 168607008

Frequently Asked Questions

What is the IUPAC name of 4-(cyanomethyl)-N-(3,4-dimethylphenyl)benzamide?
The IUPAC name of 4-(cyanomethyl)-N-(3,4-dimethylphenyl)benzamide (CID 82179426) is 4-(cyanomethyl)-N-(3,4-dimethylphenyl)benzamide.
What is the SMILES notation for 4-(cyanomethyl)-N-(3,4-dimethylphenyl)benzamide?
The canonical SMILES for 4-(cyanomethyl)-N-(3,4-dimethylphenyl)benzamide is Cc1ccc(NC(=O)c2ccc(CC#N)cc2)cc1C.
What is the InChIKey of 4-(cyanomethyl)-N-(3,4-dimethylphenyl)benzamide?
The InChIKey is WJLPZBJSQLWFRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c1-12-3-8-16(11-13(12)2)19-17(20)15-6-4-14(5-7-15)9-10-18/h3-8,11H,9H2,1-2H3,(H,19,20).
What are the key properties of 4-(cyanomethyl)-N-(3,4-dimethylphenyl)benzamide?
4-(cyanomethyl)-N-(3,4-dimethylphenyl)benzamide has a molecular weight of 264.33 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyanomethyl)-N-(3,4-dimethylphenyl)benzamide is sourced from PubChem (CID 82179426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).