3,4-dimethyl-N-(4-phenyldiazenylphenyl)benzamide

C21H19N3O — CID 3466026

IUPAC3,4-dimethyl-N-(4-phenyldiazenylphenyl)benzamide
SMILESCc1ccc(C(=O)Nc2ccc(/N=N/c3ccccc3)cc2)cc1C
InChIInChI=1S/C21H19N3O/c1-15-8-9-17(14-16(15)2)21(25)22-18-10-12-20(13-11-18)24-23-19-6-4-3-5-7-19/h3-14H,1-2H3,(H,22,25)/b24-23+
InChIKeyGNIAIGLBWFJWTD-WCWDXBQESA-N
MW329.40 g/mol
LogP5.97
Rot. Bonds4

About 3,4-dimethyl-N-(4-phenyldiazenylphenyl)benzamide

3,4-dimethyl-N-(4-phenyldiazenylphenyl)benzamide (PubChem CID 3466026) has the molecular formula C21H19N3O and a molecular weight of 329.40 g/mol. Its IUPAC name is 3,4-dimethyl-N-(4-phenyldiazenylphenyl)benzamide.

Molecular Properties

Compound Name3,4-dimethyl-N-(4-phenyldiazenylphenyl)benzamide
PubChem CID3466026
Molecular FormulaC21H19N3O
Molecular Weight329.40 g/mol
Exact Mass329.15
IUPAC Name3,4-dimethyl-N-(4-phenyldiazenylphenyl)benzamide
SMILESCc1ccc(C(=O)Nc2ccc(/N=N/c3ccccc3)cc2)cc1C
InChIInChI=1S/C21H19N3O/c1-15-8-9-17(14-16(15)2)21(25)22-18-10-12-20(13-11-18)24-23-19-6-4-3-5-7-19/h3-14H,1-2H3,(H,22,25)/b24-23+
InChIKeyGNIAIGLBWFJWTD-WCWDXBQESA-N
XLogP5.97
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.40
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

ethane;N-phenyl-4-phenyldiazenylbenzamide
CID 159586308
3,4-dimethyl-N-(4-methylphenyl)benzamide
CID 3950718
3,4,5-trimethoxy-N-(4-phenyldiazenylphenyl)benzamide
CID 3504342
N-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-3,4-dimethylbenzamide
CID 43185491
4-acetamido-N-[4-[(4-acetamidophenyl)diazenyl]phenyl]benzamide
CID 130360401
N-[4-(hydroxymethyl)phenyl]-3,4-dimethylbenzamide
CID 64793175
1-[4-[(3,4-dimethylbenzoyl)amino]anilino]ethylidene-dimethylazanium
CID 21440580
3,4-dimethyl-N-[4-(2-methylpropanoylamino)phenyl]benzamide
CID 893199
3,4-dimethyl-N-[4-(2-methylpropylamino)phenyl]benzamide
CID 112980349
3-ethylsulfonyl-N-(4-phenyldiazenylphenyl)benzamide
CID 7579103
5-[[4-[(4-amino-3-methylbenzoyl)amino]phenyl]diazenyl]-2-hydroxybenzoic acid
CID 3022919
N-dibenzofuran-3-yl-3,4-dimethylbenzamide
CID 3259661

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-(4-phenyldiazenylphenyl)benzamide?
The IUPAC name of 3,4-dimethyl-N-(4-phenyldiazenylphenyl)benzamide (CID 3466026) is 3,4-dimethyl-N-(4-phenyldiazenylphenyl)benzamide.
What is the SMILES notation for 3,4-dimethyl-N-(4-phenyldiazenylphenyl)benzamide?
The canonical SMILES for 3,4-dimethyl-N-(4-phenyldiazenylphenyl)benzamide is Cc1ccc(C(=O)Nc2ccc(/N=N/c3ccccc3)cc2)cc1C.
What is the InChIKey of 3,4-dimethyl-N-(4-phenyldiazenylphenyl)benzamide?
The InChIKey is GNIAIGLBWFJWTD-WCWDXBQESA-N. The full InChI is InChI=1S/C21H19N3O/c1-15-8-9-17(14-16(15)2)21(25)22-18-10-12-20(13-11-18)24-23-19-6-4-3-5-7-19/h3-14H,1-2H3,(H,22,25)/b24-23+.
What are the key properties of 3,4-dimethyl-N-(4-phenyldiazenylphenyl)benzamide?
3,4-dimethyl-N-(4-phenyldiazenylphenyl)benzamide has a molecular weight of 329.40 g/mol, XLogP of 5.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-(4-phenyldiazenylphenyl)benzamide is sourced from PubChem (CID 3466026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).