3-cyano-N-[3-(dimethylamino)-4-methylphenyl]benzamide

C17H17N3O — CID 115377455

IUPAC3-cyano-N-[3-(dimethylamino)-4-methylphenyl]benzamide
SMILESCc1ccc(NC(=O)c2cccc(C#N)c2)cc1N(C)C
InChIInChI=1S/C17H17N3O/c1-12-7-8-15(10-16(12)20(2)3)19-17(21)14-6-4-5-13(9-14)11-18/h4-10H,1-3H3,(H,19,21)
InChIKeyCTAWROQMBJSGGY-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.18
Rot. Bonds3

About 3-cyano-N-[3-(dimethylamino)-4-methylphenyl]benzamide

3-cyano-N-[3-(dimethylamino)-4-methylphenyl]benzamide (PubChem CID 115377455) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 3-cyano-N-[3-(dimethylamino)-4-methylphenyl]benzamide.

Molecular Properties

Compound Name3-cyano-N-[3-(dimethylamino)-4-methylphenyl]benzamide
PubChem CID115377455
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name3-cyano-N-[3-(dimethylamino)-4-methylphenyl]benzamide
SMILESCc1ccc(NC(=O)c2cccc(C#N)c2)cc1N(C)C
InChIInChI=1S/C17H17N3O/c1-12-7-8-15(10-16(12)20(2)3)19-17(21)14-6-4-5-13(9-14)11-18/h4-10H,1-3H3,(H,19,21)
InChIKeyCTAWROQMBJSGGY-UHFFFAOYSA-N
XLogP3.18
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-4-methylphenyl)-3-cyanobenzamide
CID 24707349
3-cyano-N-[3-(dimethylsulfamoyl)-4-methylphenyl]benzamide
CID 8893485
3-cyano-N-[6-(dimethylamino)-3-pyridinyl]benzamide
CID 30272011
3-cyano-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 2649522
N-(4-chlorophenyl)-3-cyanobenzamide
CID 1475891
1-N-(3-cyanophenyl)-3-N-(2,5-dimethylphenyl)benzene-1,3-dicarboxamide
CID 109057187
4-cyano-N-[3-[di(pyrimidin-2-yl)amino]-4-methylphenyl]benzamide
CID 91482940
3-cyano-N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]benzamide
CID 122287309
3-cyano-N-(3-methoxyphenyl)benzamide
CID 2709744
3-cyano-N-(5-methyl-3-pyridinyl)benzamide
CID 110727253
3-cyano-N-(2,3-dihydro-1H-inden-5-yl)benzamide
CID 2635737
N-(5-chloro-2-methylphenyl)-3-cyanobenzamide
CID 7719573

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[3-(dimethylamino)-4-methylphenyl]benzamide?
The IUPAC name of 3-cyano-N-[3-(dimethylamino)-4-methylphenyl]benzamide (CID 115377455) is 3-cyano-N-[3-(dimethylamino)-4-methylphenyl]benzamide.
What is the SMILES notation for 3-cyano-N-[3-(dimethylamino)-4-methylphenyl]benzamide?
The canonical SMILES for 3-cyano-N-[3-(dimethylamino)-4-methylphenyl]benzamide is Cc1ccc(NC(=O)c2cccc(C#N)c2)cc1N(C)C.
What is the InChIKey of 3-cyano-N-[3-(dimethylamino)-4-methylphenyl]benzamide?
The InChIKey is CTAWROQMBJSGGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-12-7-8-15(10-16(12)20(2)3)19-17(21)14-6-4-5-13(9-14)11-18/h4-10H,1-3H3,(H,19,21).
What are the key properties of 3-cyano-N-[3-(dimethylamino)-4-methylphenyl]benzamide?
3-cyano-N-[3-(dimethylamino)-4-methylphenyl]benzamide has a molecular weight of 279.34 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[3-(dimethylamino)-4-methylphenyl]benzamide is sourced from PubChem (CID 115377455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).