3-(cyanomethyl)-N-(3,5-dimethylphenyl)benzamide

C17H16N2O — CID 82179559

IUPAC3-(cyanomethyl)-N-(3,5-dimethylphenyl)benzamide
SMILESCc1cc(C)cc(NC(=O)c2cccc(CC#N)c2)c1
InChIInChI=1S/C17H16N2O/c1-12-8-13(2)10-16(9-12)19-17(20)15-5-3-4-14(11-15)6-7-18/h3-5,8-11H,6H2,1-2H3,(H,19,20)
InChIKeyZCCFHODQZOXWFF-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.62
Rot. Bonds3

About 3-(cyanomethyl)-N-(3,5-dimethylphenyl)benzamide

3-(cyanomethyl)-N-(3,5-dimethylphenyl)benzamide (PubChem CID 82179559) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is 3-(cyanomethyl)-N-(3,5-dimethylphenyl)benzamide.

Molecular Properties

Compound Name3-(cyanomethyl)-N-(3,5-dimethylphenyl)benzamide
PubChem CID82179559
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name3-(cyanomethyl)-N-(3,5-dimethylphenyl)benzamide
SMILESCc1cc(C)cc(NC(=O)c2cccc(CC#N)c2)c1
InChIInChI=1S/C17H16N2O/c1-12-8-13(2)10-16(9-12)19-17(20)15-5-3-4-14(11-15)6-7-18/h3-5,8-11H,6H2,1-2H3,(H,19,20)
InChIKeyZCCFHODQZOXWFF-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

N-(3,5-dimethylphenyl)-3-(methylsulfonylmethyl)benzamide
CID 7668726
4-[[3-(cyanomethyl)benzoyl]amino]benzoic acid
CID 84589175
3-(cyanomethyl)-N-(4-methoxyphenyl)benzamide
CID 82179539
3-(cyanomethyl)-N-methylbenzamide
CID 69441046
3-(cyanomethyl)benzohydrazide
CID 68715824
3-(cyanomethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 82179662
3-(cyanomethyl)-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 82179569
3-(cyanomethyl)-N-propylbenzamide
CID 82178980
3-(cyanomethyl)-N-[6-[[3-(cyanomethyl)benzoyl]-methylamino]-3-pyridinyl]benzamide
CID 75390221
N-(3,5-dimethylphenyl)-3-sulfanylbenzamide
CID 107021223
3-(cyanomethyl)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 78884527
3-(cyanomethyl)-N-(2-hydroxyethyl)benzamide
CID 78885620

Frequently Asked Questions

What is the IUPAC name of 3-(cyanomethyl)-N-(3,5-dimethylphenyl)benzamide?
The IUPAC name of 3-(cyanomethyl)-N-(3,5-dimethylphenyl)benzamide (CID 82179559) is 3-(cyanomethyl)-N-(3,5-dimethylphenyl)benzamide.
What is the SMILES notation for 3-(cyanomethyl)-N-(3,5-dimethylphenyl)benzamide?
The canonical SMILES for 3-(cyanomethyl)-N-(3,5-dimethylphenyl)benzamide is Cc1cc(C)cc(NC(=O)c2cccc(CC#N)c2)c1.
What is the InChIKey of 3-(cyanomethyl)-N-(3,5-dimethylphenyl)benzamide?
The InChIKey is ZCCFHODQZOXWFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c1-12-8-13(2)10-16(9-12)19-17(20)15-5-3-4-14(11-15)6-7-18/h3-5,8-11H,6H2,1-2H3,(H,19,20).
What are the key properties of 3-(cyanomethyl)-N-(3,5-dimethylphenyl)benzamide?
3-(cyanomethyl)-N-(3,5-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 3-(cyanomethyl)-N-(3,5-dimethylphenyl)benzamide is sourced from PubChem (CID 82179559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).