5-amino-N-(3,4-dicyanophenyl)-2-methylbenzamide

C16H12N4O — CID 107786844

IUPAC5-amino-N-(3,4-dicyanophenyl)-2-methylbenzamide
SMILESCc1ccc(N)cc1C(=O)Nc1ccc(C#N)c(C#N)c1
InChIInChI=1S/C16H12N4O/c1-10-2-4-13(19)7-15(10)16(21)20-14-5-3-11(8-17)12(6-14)9-18/h2-7H,19H2,1H3,(H,20,21)
InChIKeyCXOCBPKNAGPRDX-UHFFFAOYSA-N
MW276.30 g/mol
LogP2.57
Rot. Bonds2

About 5-amino-N-(3,4-dicyanophenyl)-2-methylbenzamide

5-amino-N-(3,4-dicyanophenyl)-2-methylbenzamide (PubChem CID 107786844) has the molecular formula C16H12N4O and a molecular weight of 276.30 g/mol. Its IUPAC name is 5-amino-N-(3,4-dicyanophenyl)-2-methylbenzamide.

Molecular Properties

Compound Name5-amino-N-(3,4-dicyanophenyl)-2-methylbenzamide
PubChem CID107786844
Molecular FormulaC16H12N4O
Molecular Weight276.30 g/mol
Exact Mass276.10
IUPAC Name5-amino-N-(3,4-dicyanophenyl)-2-methylbenzamide
SMILESCc1ccc(N)cc1C(=O)Nc1ccc(C#N)c(C#N)c1
InChIInChI=1S/C16H12N4O/c1-10-2-4-13(19)7-15(10)16(21)20-14-5-3-11(8-17)12(6-14)9-18/h2-7H,19H2,1H3,(H,20,21)
InChIKeyCXOCBPKNAGPRDX-UHFFFAOYSA-N
XLogP2.57
TPSA102.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-(3-cyano-4-fluorophenyl)-2-methylbenzamide
CID 62318012
N-(3,4-dicyanophenyl)-2-methyl-5-sulfanylbenzamide
CID 107794528
5-amino-N-(4-cyanophenyl)-2-methylbenzamide
CID 61291527
2-amino-N-(3,4-dicyanophenyl)-3-methylbenzamide
CID 107786827
5-amino-N-(3-fluoro-4-methylphenyl)-2-methylbenzamide
CID 61291909
2-amino-5-chloro-N-(3,4-dicyanophenyl)benzamide
CID 107786836
N-(3,4-dicyanophenyl)-4-methylthiophene-3-carboxamide
CID 103944405
5-amino-N-(3,4-dichlorophenyl)-2-methylbenzamide
CID 61291913
5-amino-2-cyano-N-(4-fluorophenyl)benzamide
CID 122618305
4-amino-N-(4-aminophenyl)-2-cyanobenzamide
CID 19689750
4-amino-N-(3-cyano-4-methoxyphenyl)benzamide
CID 23791470
N-(3,4-dicyanophenyl)acetamide
CID 12938829

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(3,4-dicyanophenyl)-2-methylbenzamide?
The IUPAC name of 5-amino-N-(3,4-dicyanophenyl)-2-methylbenzamide (CID 107786844) is 5-amino-N-(3,4-dicyanophenyl)-2-methylbenzamide.
What is the SMILES notation for 5-amino-N-(3,4-dicyanophenyl)-2-methylbenzamide?
The canonical SMILES for 5-amino-N-(3,4-dicyanophenyl)-2-methylbenzamide is Cc1ccc(N)cc1C(=O)Nc1ccc(C#N)c(C#N)c1.
What is the InChIKey of 5-amino-N-(3,4-dicyanophenyl)-2-methylbenzamide?
The InChIKey is CXOCBPKNAGPRDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O/c1-10-2-4-13(19)7-15(10)16(21)20-14-5-3-11(8-17)12(6-14)9-18/h2-7H,19H2,1H3,(H,20,21).
What are the key properties of 5-amino-N-(3,4-dicyanophenyl)-2-methylbenzamide?
5-amino-N-(3,4-dicyanophenyl)-2-methylbenzamide has a molecular weight of 276.30 g/mol, XLogP of 2.57, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(3,4-dicyanophenyl)-2-methylbenzamide is sourced from PubChem (CID 107786844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).