N-(5-amino-2,4-dimethylphenyl)-4-cyanobenzamide

C16H15N3O — CID 104756918

IUPACN-(5-amino-2,4-dimethylphenyl)-4-cyanobenzamide
SMILESCc1cc(C)c(NC(=O)c2ccc(C#N)cc2)cc1N
InChIInChI=1S/C16H15N3O/c1-10-7-11(2)15(8-14(10)18)19-16(20)13-5-3-12(9-17)4-6-13/h3-8H,18H2,1-2H3,(H,19,20)
InChIKeyIEBVZFHXDCNRDW-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.01
Rot. Bonds2

About N-(5-amino-2,4-dimethylphenyl)-4-cyanobenzamide

N-(5-amino-2,4-dimethylphenyl)-4-cyanobenzamide (PubChem CID 104756918) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is N-(5-amino-2,4-dimethylphenyl)-4-cyanobenzamide.

Molecular Properties

Compound NameN-(5-amino-2,4-dimethylphenyl)-4-cyanobenzamide
PubChem CID104756918
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC NameN-(5-amino-2,4-dimethylphenyl)-4-cyanobenzamide
SMILESCc1cc(C)c(NC(=O)c2ccc(C#N)cc2)cc1N
InChIInChI=1S/C16H15N3O/c1-10-7-11(2)15(8-14(10)18)19-16(20)13-5-3-12(9-17)4-6-13/h3-8H,18H2,1-2H3,(H,19,20)
InChIKeyIEBVZFHXDCNRDW-UHFFFAOYSA-N
XLogP3.01
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(5-amino-2,4-dimethylphenyl)-4-hydroxybenzamide
CID 104757000
N-(3-amino-2-methylphenyl)-4-cyanobenzamide
CID 16781940
N-(2-amino-4-cyanophenyl)-4-methylbenzamide
CID 78965634
N-(5-amino-2,4-dimethylphenyl)-3-chloro-4-methylbenzamide
CID 104756900
1-N-(4-cyanophenyl)-4-N-(2,4-dimethylphenyl)benzene-1,4-dicarboxamide
CID 109049608
N-(4-amino-2,5-dimethylphenyl)-4-chlorobenzamide
CID 103144495
N-(4-amino-2-bromophenyl)-4-cyanobenzamide
CID 43549549
4-amino-N-(4-cyano-2-methoxyphenyl)-3-methylbenzamide
CID 104847820
N-(4-bromo-2-cyanophenyl)-4-cyanobenzamide
CID 81498291
N-(5-amino-2,4-dimethylphenyl)-3-methoxy-4-methylbenzamide
CID 104756886
N-(2-amino-4-cyanophenyl)-3-fluoro-4-methylbenzamide
CID 78965367
N-(4-amino-2,5-dimethylphenyl)-4-(dimethylamino)benzamide
CID 103144355

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2,4-dimethylphenyl)-4-cyanobenzamide?
The IUPAC name of N-(5-amino-2,4-dimethylphenyl)-4-cyanobenzamide (CID 104756918) is N-(5-amino-2,4-dimethylphenyl)-4-cyanobenzamide.
What is the SMILES notation for N-(5-amino-2,4-dimethylphenyl)-4-cyanobenzamide?
The canonical SMILES for N-(5-amino-2,4-dimethylphenyl)-4-cyanobenzamide is Cc1cc(C)c(NC(=O)c2ccc(C#N)cc2)cc1N.
What is the InChIKey of N-(5-amino-2,4-dimethylphenyl)-4-cyanobenzamide?
The InChIKey is IEBVZFHXDCNRDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-10-7-11(2)15(8-14(10)18)19-16(20)13-5-3-12(9-17)4-6-13/h3-8H,18H2,1-2H3,(H,19,20).
What are the key properties of N-(5-amino-2,4-dimethylphenyl)-4-cyanobenzamide?
N-(5-amino-2,4-dimethylphenyl)-4-cyanobenzamide has a molecular weight of 265.32 g/mol, XLogP of 3.01, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2,4-dimethylphenyl)-4-cyanobenzamide is sourced from PubChem (CID 104756918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).