3-methyl-N-[3-[(3-methylbenzoyl)amino]-4-phenyldiazenylphenyl]benzamide

C28H24N4O2 — CID 4250070

IUPAC3-methyl-N-[3-[(3-methylbenzoyl)amino]-4-phenyldiazenylphenyl]benzamide
SMILESCc1cccc(C(=O)Nc2ccc(/N=N/c3ccccc3)c(NC(=O)c3cccc(C)c3)c2)c1
InChIInChI=1S/C28H24N4O2/c1-19-8-6-10-21(16-19)27(33)29-24-14-15-25(32-31-23-12-4-3-5-13-23)26(18-24)30-28(34)22-11-7-9-20(2)17-22/h3-18H,1-2H3,(H,29,33)(H,30,34)/b32-31+
InChIKeyBRFBRAOQCPITLL-QNEJGDQOSA-N
MW448.53 g/mol
LogP7.22
Rot. Bonds6

About 3-methyl-N-[3-[(3-methylbenzoyl)amino]-4-phenyldiazenylphenyl]benzamide

3-methyl-N-[3-[(3-methylbenzoyl)amino]-4-phenyldiazenylphenyl]benzamide (PubChem CID 4250070) has the molecular formula C28H24N4O2 and a molecular weight of 448.53 g/mol. Its IUPAC name is 3-methyl-N-[3-[(3-methylbenzoyl)amino]-4-phenyldiazenylphenyl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[3-[(3-methylbenzoyl)amino]-4-phenyldiazenylphenyl]benzamide
PubChem CID4250070
Molecular FormulaC28H24N4O2
Molecular Weight448.53 g/mol
Exact Mass448.19
IUPAC Name3-methyl-N-[3-[(3-methylbenzoyl)amino]-4-phenyldiazenylphenyl]benzamide
SMILESCc1cccc(C(=O)Nc2ccc(/N=N/c3ccccc3)c(NC(=O)c3cccc(C)c3)c2)c1
InChIInChI=1S/C28H24N4O2/c1-19-8-6-10-21(16-19)27(33)29-24-14-15-25(32-31-23-12-4-3-5-13-23)26(18-24)30-28(34)22-11-7-9-20(2)17-22/h3-18H,1-2H3,(H,29,33)(H,30,34)/b32-31+
InChIKeyBRFBRAOQCPITLL-QNEJGDQOSA-N
XLogP7.22
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.53
LogP ≤ 57.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-methyl-N-[3-[(3-methylbenzoyl)amino]-4-phenyldiazenylphenyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-N-[3-[(4-bromobenzoyl)amino]-4-phenyldiazenylphenyl]benzamide
CID 4259733
N-(5-methyl-2-phenyldiazenylphenyl)acetamide
CID 154602849
2-bromo-N-[3-[(2-bromobenzoyl)amino]-4-phenyldiazenylphenyl]benzamide
CID 3642148
3-methyl-N-[4-[(2-methylphenyl)carbamoyl]phenyl]benzamide
CID 23857052
N-[3-(butanoylamino)-4-phenyldiazenylphenyl]butanamide
CID 4526974
N-(4-acetamidophenyl)-3-methylbenzamide
CID 730082
N-(3-acetamidophenyl)-3-methylbenzamide
CID 766081
3,4-dimethyl-N-(4-phenyldiazenylphenyl)benzamide
CID 3466026
N-[2-hydroxy-5-[4-hydroxy-3-[(3-methylbenzoyl)amino]anilino]phenyl]-3-methylbenzamide
CID 139492464
3-methyl-N-[4-[(2-phenylacetyl)amino]phenyl]benzamide
CID 5343922
N-(3-amino-4-chlorophenyl)-3-methylbenzamide
CID 16772508
2-iodo-N-[4-[(3-methylbenzoyl)amino]phenyl]benzamide
CID 1089815

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[3-[(3-methylbenzoyl)amino]-4-phenyldiazenylphenyl]benzamide?
The IUPAC name of 3-methyl-N-[3-[(3-methylbenzoyl)amino]-4-phenyldiazenylphenyl]benzamide (CID 4250070) is 3-methyl-N-[3-[(3-methylbenzoyl)amino]-4-phenyldiazenylphenyl]benzamide.
What is the SMILES notation for 3-methyl-N-[3-[(3-methylbenzoyl)amino]-4-phenyldiazenylphenyl]benzamide?
The canonical SMILES for 3-methyl-N-[3-[(3-methylbenzoyl)amino]-4-phenyldiazenylphenyl]benzamide is Cc1cccc(C(=O)Nc2ccc(/N=N/c3ccccc3)c(NC(=O)c3cccc(C)c3)c2)c1.
What is the InChIKey of 3-methyl-N-[3-[(3-methylbenzoyl)amino]-4-phenyldiazenylphenyl]benzamide?
The InChIKey is BRFBRAOQCPITLL-QNEJGDQOSA-N. The full InChI is InChI=1S/C28H24N4O2/c1-19-8-6-10-21(16-19)27(33)29-24-14-15-25(32-31-23-12-4-3-5-13-23)26(18-24)30-28(34)22-11-7-9-20(2)17-22/h3-18H,1-2H3,(H,29,33)(H,30,34)/b32-31+.
What are the key properties of 3-methyl-N-[3-[(3-methylbenzoyl)amino]-4-phenyldiazenylphenyl]benzamide?
3-methyl-N-[3-[(3-methylbenzoyl)amino]-4-phenyldiazenylphenyl]benzamide has a molecular weight of 448.53 g/mol, XLogP of 7.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[3-[(3-methylbenzoyl)amino]-4-phenyldiazenylphenyl]benzamide is sourced from PubChem (CID 4250070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).