4-amino-N-[4-[[4-[(4-aminobenzoyl)amino]phenyl]diazenyl]phenyl]benzamide

C26H22N6O2 — CID 134597340

IUPAC4-amino-N-[4-[[4-[(4-aminobenzoyl)amino]phenyl]diazenyl]phenyl]benzamide
SMILESNc1ccc(C(=O)Nc2ccc(/N=N/c3ccc(NC(=O)c4ccc(N)cc4)cc3)cc2)cc1
InChIInChI=1S/C26H22N6O2/c27-19-5-1-17(2-6-19)25(33)29-21-9-13-23(14-10-21)31-32-24-15-11-22(12-16-24)30-26(34)18-3-7-20(28)8-4-18/h1-16H,27-28H2,(H,29,33)(H,30,34)/b32-31+
InChIKeyUFCWNYDCAHPWAH-QNEJGDQOSA-N
MW450.50 g/mol
LogP5.77
Rot. Bonds6

About 4-amino-N-[4-[[4-[(4-aminobenzoyl)amino]phenyl]diazenyl]phenyl]benzamide

4-amino-N-[4-[[4-[(4-aminobenzoyl)amino]phenyl]diazenyl]phenyl]benzamide (PubChem CID 134597340) has the molecular formula C26H22N6O2 and a molecular weight of 450.50 g/mol. Its IUPAC name is 4-amino-N-[4-[[4-[(4-aminobenzoyl)amino]phenyl]diazenyl]phenyl]benzamide.

Molecular Properties

Compound Name4-amino-N-[4-[[4-[(4-aminobenzoyl)amino]phenyl]diazenyl]phenyl]benzamide
PubChem CID134597340
Molecular FormulaC26H22N6O2
Molecular Weight450.50 g/mol
Exact Mass450.18
IUPAC Name4-amino-N-[4-[[4-[(4-aminobenzoyl)amino]phenyl]diazenyl]phenyl]benzamide
SMILESNc1ccc(C(=O)Nc2ccc(/N=N/c3ccc(NC(=O)c4ccc(N)cc4)cc3)cc2)cc1
InChIInChI=1S/C26H22N6O2/c27-19-5-1-17(2-6-19)25(33)29-21-9-13-23(14-10-21)31-32-24-15-11-22(12-16-24)30-26(34)18-3-7-20(28)8-4-18/h1-16H,27-28H2,(H,29,33)(H,30,34)/b32-31+
InChIKeyUFCWNYDCAHPWAH-QNEJGDQOSA-N
XLogP5.77
TPSA134.96 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.50
LogP ≤ 55.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(4-aminophenyl)-4-(diaminomethylideneamino)benzamide
CID 12925886
4-acetamido-N-[4-[(4-acetamidophenyl)diazenyl]phenyl]benzamide
CID 130360401
4-amino-N-(4-aminophenyl)benzamide;ethanamine
CID 19078068
4-(aminomethyl)-N-(4-aminophenyl)benzamide
CID 90103909
ethane;N-phenyl-4-phenyldiazenylbenzamide
CID 159586308
N-(4-aminophenyl)-4-ethenylbenzamide
CID 13082944
4-amino-N-[4-[3-amino-5-[4-[(4-aminobenzoyl)amino]phenyl]phenyl]phenyl]benzamide
CID 150367219
N-(4-aminophenyl)-4-(2-methylpropanoyl)benzamide;2-methylpropane
CID 144512975
[4-[[4-[(4-hydroxyphenyl)diazenyl]benzoyl]amino]phenyl]boronic acid
CID 136723540
N-(4-aminophenyl)benzamide;ethane;ethene
CID 144544387
4-amino-N-(4-propan-2-yloxyphenyl)benzamide
CID 28722589
4-amino-N-(4-hydroxyphenyl)benzamide;N-methylmethanamine;propane
CID 145495797

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[4-[[4-[(4-aminobenzoyl)amino]phenyl]diazenyl]phenyl]benzamide?
The IUPAC name of 4-amino-N-[4-[[4-[(4-aminobenzoyl)amino]phenyl]diazenyl]phenyl]benzamide (CID 134597340) is 4-amino-N-[4-[[4-[(4-aminobenzoyl)amino]phenyl]diazenyl]phenyl]benzamide.
What is the SMILES notation for 4-amino-N-[4-[[4-[(4-aminobenzoyl)amino]phenyl]diazenyl]phenyl]benzamide?
The canonical SMILES for 4-amino-N-[4-[[4-[(4-aminobenzoyl)amino]phenyl]diazenyl]phenyl]benzamide is Nc1ccc(C(=O)Nc2ccc(/N=N/c3ccc(NC(=O)c4ccc(N)cc4)cc3)cc2)cc1.
What is the InChIKey of 4-amino-N-[4-[[4-[(4-aminobenzoyl)amino]phenyl]diazenyl]phenyl]benzamide?
The InChIKey is UFCWNYDCAHPWAH-QNEJGDQOSA-N. The full InChI is InChI=1S/C26H22N6O2/c27-19-5-1-17(2-6-19)25(33)29-21-9-13-23(14-10-21)31-32-24-15-11-22(12-16-24)30-26(34)18-3-7-20(28)8-4-18/h1-16H,27-28H2,(H,29,33)(H,30,34)/b32-31+.
What are the key properties of 4-amino-N-[4-[[4-[(4-aminobenzoyl)amino]phenyl]diazenyl]phenyl]benzamide?
4-amino-N-[4-[[4-[(4-aminobenzoyl)amino]phenyl]diazenyl]phenyl]benzamide has a molecular weight of 450.50 g/mol, XLogP of 5.77, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[4-[[4-[(4-aminobenzoyl)amino]phenyl]diazenyl]phenyl]benzamide is sourced from PubChem (CID 134597340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).