2-(4-chlorobenzoyl)-N-(4-phenyldiazenylphenyl)benzamide

C26H18ClN3O2 — CID 165365429

IUPAC2-(4-chlorobenzoyl)-N-(4-phenyldiazenylphenyl)benzamide
SMILESO=C(Nc1ccc(/N=N/c2ccccc2)cc1)c1ccccc1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C26H18ClN3O2/c27-19-12-10-18(11-13-19)25(31)23-8-4-5-9-24(23)26(32)28-20-14-16-22(17-15-20)30-29-21-6-2-1-3-7-21/h1-17H,(H,28,32)/b30-29+
InChIKeyXZQUSOYXTLWLPW-QVIHXGFCSA-N
MW439.90 g/mol
LogP7.24
Rot. Bonds6

About 2-(4-chlorobenzoyl)-N-(4-phenyldiazenylphenyl)benzamide

2-(4-chlorobenzoyl)-N-(4-phenyldiazenylphenyl)benzamide (PubChem CID 165365429) has the molecular formula C26H18ClN3O2 and a molecular weight of 439.90 g/mol. Its IUPAC name is 2-(4-chlorobenzoyl)-N-(4-phenyldiazenylphenyl)benzamide.

Molecular Properties

Compound Name2-(4-chlorobenzoyl)-N-(4-phenyldiazenylphenyl)benzamide
PubChem CID165365429
Molecular FormulaC26H18ClN3O2
Molecular Weight439.90 g/mol
Exact Mass439.11
IUPAC Name2-(4-chlorobenzoyl)-N-(4-phenyldiazenylphenyl)benzamide
SMILESO=C(Nc1ccc(/N=N/c2ccccc2)cc1)c1ccccc1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C26H18ClN3O2/c27-19-12-10-18(11-13-19)25(31)23-8-4-5-9-24(23)26(32)28-20-14-16-22(17-15-20)30-29-21-6-2-1-3-7-21/h1-17H,(H,28,32)/b30-29+
InChIKeyXZQUSOYXTLWLPW-QVIHXGFCSA-N
XLogP7.24
TPSA70.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.90
LogP ≤ 57.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

1-(4-chlorophenyl)-3-(4-phenyldiazenylphenyl)urea
CID 4677729
2-(4-chlorobenzoyl)-N-[4-(diethylamino)phenyl]benzamide
CID 11841270
2-[1-(4-chlorophenyl)ethenyl]-N-phenylbenzamide
CID 154711016
2-chloro-N-(4-chlorophenyl)benzamide;4-chloro-N-(4-chlorophenyl)benzamide
CID 159735192
2-benzoyl-N-[4-[(4-chloro-2-methylphenyl)carbamoyl]phenyl]benzamide
CID 23935500
ethane;N-phenyl-4-phenyldiazenylbenzamide
CID 159586308
2,6-dichloro-N-(4-phenyldiazenylphenyl)benzamide
CID 3386476
2-[(4-carboxylatophenyl)carbamoyl]benzoate
CID 6936041
(2R,3R)-2,3-bis[(4-chlorobenzoyl)oxy]-4-oxo-4-(4-phenyldiazenylanilino)butanoic acid
CID 126383497
N-(4-chlorophenyl)benzamide;hydrochloride
CID 139912610
1-[2-(4-chlorobenzoyl)phenyl]ethanone
CID 2800946
[5-chloro-2-[(4-chlorophenyl)diazenyl]phenyl]-phenylmethanone
CID 102337066

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorobenzoyl)-N-(4-phenyldiazenylphenyl)benzamide?
The IUPAC name of 2-(4-chlorobenzoyl)-N-(4-phenyldiazenylphenyl)benzamide (CID 165365429) is 2-(4-chlorobenzoyl)-N-(4-phenyldiazenylphenyl)benzamide.
What is the SMILES notation for 2-(4-chlorobenzoyl)-N-(4-phenyldiazenylphenyl)benzamide?
The canonical SMILES for 2-(4-chlorobenzoyl)-N-(4-phenyldiazenylphenyl)benzamide is O=C(Nc1ccc(/N=N/c2ccccc2)cc1)c1ccccc1C(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorobenzoyl)-N-(4-phenyldiazenylphenyl)benzamide?
The InChIKey is XZQUSOYXTLWLPW-QVIHXGFCSA-N. The full InChI is InChI=1S/C26H18ClN3O2/c27-19-12-10-18(11-13-19)25(31)23-8-4-5-9-24(23)26(32)28-20-14-16-22(17-15-20)30-29-21-6-2-1-3-7-21/h1-17H,(H,28,32)/b30-29+.
What are the key properties of 2-(4-chlorobenzoyl)-N-(4-phenyldiazenylphenyl)benzamide?
2-(4-chlorobenzoyl)-N-(4-phenyldiazenylphenyl)benzamide has a molecular weight of 439.90 g/mol, XLogP of 7.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorobenzoyl)-N-(4-phenyldiazenylphenyl)benzamide is sourced from PubChem (CID 165365429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).