4-tert-butyl-N-(3,4-dicyanophenyl)benzamide

C19H17N3O — CID 78843259

IUPAC4-tert-butyl-N-(3,4-dicyanophenyl)benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2ccc(C#N)c(C#N)c2)cc1
InChIInChI=1S/C19H17N3O/c1-19(2,3)16-7-4-13(5-8-16)18(23)22-17-9-6-14(11-20)15(10-17)12-21/h4-10H,1-3H3,(H,22,23)
InChIKeyNXVXQZWJMWYMLF-UHFFFAOYSA-N
MW303.37 g/mol
LogP3.98
Rot. Bonds2

About 4-tert-butyl-N-(3,4-dicyanophenyl)benzamide

4-tert-butyl-N-(3,4-dicyanophenyl)benzamide (PubChem CID 78843259) has the molecular formula C19H17N3O and a molecular weight of 303.37 g/mol. Its IUPAC name is 4-tert-butyl-N-(3,4-dicyanophenyl)benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-(3,4-dicyanophenyl)benzamide
PubChem CID78843259
Molecular FormulaC19H17N3O
Molecular Weight303.37 g/mol
Exact Mass303.14
IUPAC Name4-tert-butyl-N-(3,4-dicyanophenyl)benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2ccc(C#N)c(C#N)c2)cc1
InChIInChI=1S/C19H17N3O/c1-19(2,3)16-7-4-13(5-8-16)18(23)22-17-9-6-14(11-20)15(10-17)12-21/h4-10H,1-3H3,(H,22,23)
InChIKeyNXVXQZWJMWYMLF-UHFFFAOYSA-N
XLogP3.98
TPSA76.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dicyanophenyl)acetamide
CID 12938829
N-(3,4-dicyanophenyl)-3,5-dihydroxybenzamide
CID 103944403
N-(3,4-dicyanophenyl)-4-(1,2,4-triazol-4-yl)benzamide
CID 75517629
4-amino-N-(3-cyano-4-methoxyphenyl)benzamide
CID 23791470
3-(3,4-dicyanoanilino)-2,2-dimethyl-3-oxopropanoic acid
CID 107792663
4-tert-butyl-N-[4-[(2-cyanoacetyl)amino]phenyl]benzamide
CID 108922528
4-(3,4-dicyanophenoxy)-N-[4-[[4-(3,4-dicyanophenoxy)benzoyl]amino]phenyl]benzamide
CID 10886540
3-amino-N-(3,4-dicyanophenyl)-4-fluorobenzamide
CID 107786862
3-chloro-N-(3,4-dicyanophenyl)-4-iodobenzamide
CID 103738054
3-bromo-N-(3,4-dicyanophenyl)-5-methylbenzamide
CID 104854750
4-tert-butyl-N-(3-tert-butylphenyl)benzamide
CID 170716267
N-(3,4-dicyanophenyl)pyridazine-4-carboxamide
CID 103944391

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(3,4-dicyanophenyl)benzamide?
The IUPAC name of 4-tert-butyl-N-(3,4-dicyanophenyl)benzamide (CID 78843259) is 4-tert-butyl-N-(3,4-dicyanophenyl)benzamide.
What is the SMILES notation for 4-tert-butyl-N-(3,4-dicyanophenyl)benzamide?
The canonical SMILES for 4-tert-butyl-N-(3,4-dicyanophenyl)benzamide is CC(C)(C)c1ccc(C(=O)Nc2ccc(C#N)c(C#N)c2)cc1.
What is the InChIKey of 4-tert-butyl-N-(3,4-dicyanophenyl)benzamide?
The InChIKey is NXVXQZWJMWYMLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O/c1-19(2,3)16-7-4-13(5-8-16)18(23)22-17-9-6-14(11-20)15(10-17)12-21/h4-10H,1-3H3,(H,22,23).
What are the key properties of 4-tert-butyl-N-(3,4-dicyanophenyl)benzamide?
4-tert-butyl-N-(3,4-dicyanophenyl)benzamide has a molecular weight of 303.37 g/mol, XLogP of 3.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(3,4-dicyanophenyl)benzamide is sourced from PubChem (CID 78843259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).