4-acetamido-N-[4-[(4-acetamidophenyl)diazenyl]phenyl]benzamide

C23H21N5O3 — CID 130360401

IUPAC4-acetamido-N-[4-[(4-acetamidophenyl)diazenyl]phenyl]benzamide
SMILESCC(=O)Nc1ccc(/N=N/c2ccc(NC(=O)c3ccc(NC(C)=O)cc3)cc2)cc1
InChIInChI=1S/C23H21N5O3/c1-15(29)24-18-5-3-17(4-6-18)23(31)26-20-9-13-22(14-10-20)28-27-21-11-7-19(8-12-21)25-16(2)30/h3-14H,1-2H3,(H,24,29)(H,25,30)(H,26,31)/b28-27+
InChIKeyCQCLBCBDGSLCRG-BYYHNAKLSA-N
MW415.45 g/mol
LogP5.27
Rot. Bonds6

About 4-acetamido-N-[4-[(4-acetamidophenyl)diazenyl]phenyl]benzamide

4-acetamido-N-[4-[(4-acetamidophenyl)diazenyl]phenyl]benzamide (PubChem CID 130360401) has the molecular formula C23H21N5O3 and a molecular weight of 415.45 g/mol. Its IUPAC name is 4-acetamido-N-[4-[(4-acetamidophenyl)diazenyl]phenyl]benzamide.

Molecular Properties

Compound Name4-acetamido-N-[4-[(4-acetamidophenyl)diazenyl]phenyl]benzamide
PubChem CID130360401
Molecular FormulaC23H21N5O3
Molecular Weight415.45 g/mol
Exact Mass415.16
IUPAC Name4-acetamido-N-[4-[(4-acetamidophenyl)diazenyl]phenyl]benzamide
SMILESCC(=O)Nc1ccc(/N=N/c2ccc(NC(=O)c3ccc(NC(C)=O)cc3)cc2)cc1
InChIInChI=1S/C23H21N5O3/c1-15(29)24-18-5-3-17(4-6-18)23(31)26-20-9-13-22(14-10-20)28-27-21-11-7-19(8-12-21)25-16(2)30/h3-14H,1-2H3,(H,24,29)(H,25,30)(H,26,31)/b28-27+
InChIKeyCQCLBCBDGSLCRG-BYYHNAKLSA-N
XLogP5.27
TPSA112.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.45
LogP ≤ 55.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

4-amino-N-[4-[[4-[(4-aminobenzoyl)amino]phenyl]diazenyl]phenyl]benzamide
CID 134597340
ethane;N-phenyl-4-phenyldiazenylbenzamide
CID 159586308
N-[4-[(4-acetamidophenyl)carbamoyl]phenyl]-4-methylbenzamide
CID 2223178
4-[[4-[(4-acetamidobenzoyl)amino]benzoyl]amino]benzoic acid
CID 155141284
4-N-(4-acetamidophenyl)benzene-1,4-dicarboxamide
CID 27648779
4-acetamido-N-[(E)-(4-phenyldiazenylphenyl)methylideneamino]benzamide
CID 170647561
N-(4-acetamidophenyl)-4-(dimethylamino)benzamide
CID 669679
N-[4-(4-phenyldiazenylphenyl)phenyl]acetamide
CID 2749691
N-[4-[4-[(4-hydroxyphenyl)diazenyl]phenyl]phenyl]acetamide
CID 137186099
[4-[[4-[(4-hydroxyphenyl)diazenyl]benzoyl]amino]phenyl]boronic acid
CID 136723540
N-[4-[[4-[(4-cyanophenyl)diazenyl]phenyl]diazenyl]phenyl]acetamide
CID 126494635
3,4-dimethyl-N-(4-phenyldiazenylphenyl)benzamide
CID 3466026

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-[4-[(4-acetamidophenyl)diazenyl]phenyl]benzamide?
The IUPAC name of 4-acetamido-N-[4-[(4-acetamidophenyl)diazenyl]phenyl]benzamide (CID 130360401) is 4-acetamido-N-[4-[(4-acetamidophenyl)diazenyl]phenyl]benzamide.
What is the SMILES notation for 4-acetamido-N-[4-[(4-acetamidophenyl)diazenyl]phenyl]benzamide?
The canonical SMILES for 4-acetamido-N-[4-[(4-acetamidophenyl)diazenyl]phenyl]benzamide is CC(=O)Nc1ccc(/N=N/c2ccc(NC(=O)c3ccc(NC(C)=O)cc3)cc2)cc1.
What is the InChIKey of 4-acetamido-N-[4-[(4-acetamidophenyl)diazenyl]phenyl]benzamide?
The InChIKey is CQCLBCBDGSLCRG-BYYHNAKLSA-N. The full InChI is InChI=1S/C23H21N5O3/c1-15(29)24-18-5-3-17(4-6-18)23(31)26-20-9-13-22(14-10-20)28-27-21-11-7-19(8-12-21)25-16(2)30/h3-14H,1-2H3,(H,24,29)(H,25,30)(H,26,31)/b28-27+.
What are the key properties of 4-acetamido-N-[4-[(4-acetamidophenyl)diazenyl]phenyl]benzamide?
4-acetamido-N-[4-[(4-acetamidophenyl)diazenyl]phenyl]benzamide has a molecular weight of 415.45 g/mol, XLogP of 5.27, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-[4-[(4-acetamidophenyl)diazenyl]phenyl]benzamide is sourced from PubChem (CID 130360401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).