N-(6-amino-2,3-dimethylphenyl)-3-cyanobenzamide

C16H15N3O — CID 43548048

IUPACN-(6-amino-2,3-dimethylphenyl)-3-cyanobenzamide
SMILESCc1ccc(N)c(NC(=O)c2cccc(C#N)c2)c1C
InChIInChI=1S/C16H15N3O/c1-10-6-7-14(18)15(11(10)2)19-16(20)13-5-3-4-12(8-13)9-17/h3-8H,18H2,1-2H3,(H,19,20)
InChIKeyZSCOPGAIGDEEMF-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.01
Rot. Bonds2

About N-(6-amino-2,3-dimethylphenyl)-3-cyanobenzamide

N-(6-amino-2,3-dimethylphenyl)-3-cyanobenzamide (PubChem CID 43548048) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is N-(6-amino-2,3-dimethylphenyl)-3-cyanobenzamide.

Molecular Properties

Compound NameN-(6-amino-2,3-dimethylphenyl)-3-cyanobenzamide
PubChem CID43548048
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC NameN-(6-amino-2,3-dimethylphenyl)-3-cyanobenzamide
SMILESCc1ccc(N)c(NC(=O)c2cccc(C#N)c2)c1C
InChIInChI=1S/C16H15N3O/c1-10-6-7-14(18)15(11(10)2)19-16(20)13-5-3-4-12(8-13)9-17/h3-8H,18H2,1-2H3,(H,19,20)
InChIKeyZSCOPGAIGDEEMF-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-(3-amino-4-methylphenyl)-3-cyanobenzamide
CID 24707349
3-cyano-N-(2,4,6-trimethyl-3-pyridinyl)benzamide
CID 78838350
3-cyano-N-(2,6-dichlorophenyl)benzamide
CID 43386585
3-cyano-N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)benzamide
CID 122302755
3-cyano-N-(2-methyl-5-phenylphenyl)benzamide;2-methyl-5-phenylaniline
CID 157458415
N-(5-chloro-2-methylphenyl)-3-cyanobenzamide
CID 7719573
N-(6-amino-2,3-dimethylphenyl)-3-chloro-4-iodobenzamide
CID 103218671
3-cyano-N-(1-methylcyclobutyl)benzamide
CID 115766115
3-cyano-N-(2,3,5,6-tetrafluorophenyl)benzamide
CID 103600288
N-(6-amino-2,3-dimethylphenyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 43548027
3-cyano-N-[3-(dimethylamino)-4-methylphenyl]benzamide
CID 115377455
N-(6-amino-2,3-dimethylphenyl)-4-bromobenzamide
CID 43548126

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-2,3-dimethylphenyl)-3-cyanobenzamide?
The IUPAC name of N-(6-amino-2,3-dimethylphenyl)-3-cyanobenzamide (CID 43548048) is N-(6-amino-2,3-dimethylphenyl)-3-cyanobenzamide.
What is the SMILES notation for N-(6-amino-2,3-dimethylphenyl)-3-cyanobenzamide?
The canonical SMILES for N-(6-amino-2,3-dimethylphenyl)-3-cyanobenzamide is Cc1ccc(N)c(NC(=O)c2cccc(C#N)c2)c1C.
What is the InChIKey of N-(6-amino-2,3-dimethylphenyl)-3-cyanobenzamide?
The InChIKey is ZSCOPGAIGDEEMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-10-6-7-14(18)15(11(10)2)19-16(20)13-5-3-4-12(8-13)9-17/h3-8H,18H2,1-2H3,(H,19,20).
What are the key properties of N-(6-amino-2,3-dimethylphenyl)-3-cyanobenzamide?
N-(6-amino-2,3-dimethylphenyl)-3-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-(6-amino-2,3-dimethylphenyl)-3-cyanobenzamide is sourced from PubChem (CID 43548048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).