2-(2-bromophenoxy)-N-(4-phenyldiazenylphenyl)acetamide

C20H16BrN3O2 — CID 7466856

IUPAC2-(2-bromophenoxy)-N-(4-phenyldiazenylphenyl)acetamide
SMILESO=C(COc1ccccc1Br)Nc1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C20H16BrN3O2/c21-18-8-4-5-9-19(18)26-14-20(25)22-15-10-12-17(13-11-15)24-23-16-6-2-1-3-7-16/h1-13H,14H2,(H,22,25)/b24-23+
InChIKeyPVUYZFDGVJQLBB-WCWDXBQESA-N
MW410.27 g/mol
LogP5.88
Rot. Bonds6

About 2-(2-bromophenoxy)-N-(4-phenyldiazenylphenyl)acetamide

2-(2-bromophenoxy)-N-(4-phenyldiazenylphenyl)acetamide (PubChem CID 7466856) has the molecular formula C20H16BrN3O2 and a molecular weight of 410.27 g/mol. Its IUPAC name is 2-(2-bromophenoxy)-N-(4-phenyldiazenylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-bromophenoxy)-N-(4-phenyldiazenylphenyl)acetamide
PubChem CID7466856
Molecular FormulaC20H16BrN3O2
Molecular Weight410.27 g/mol
Exact Mass409.04
IUPAC Name2-(2-bromophenoxy)-N-(4-phenyldiazenylphenyl)acetamide
SMILESO=C(COc1ccccc1Br)Nc1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C20H16BrN3O2/c21-18-8-4-5-9-19(18)26-14-20(25)22-15-10-12-17(13-11-15)24-23-16-6-2-1-3-7-16/h1-13H,14H2,(H,22,25)/b24-23+
InChIKeyPVUYZFDGVJQLBB-WCWDXBQESA-N
XLogP5.88
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.27
LogP ≤ 55.88
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

2-(2-acetylphenoxy)-N-(4-phenyldiazenylphenyl)acetamide
CID 165365413
2-(2-bromophenoxy)-N-(4-ethoxyphenyl)acetamide
CID 1183062
2-(2-bromophenoxy)-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide
CID 16518098
2-(4-formyl-2-methoxyphenoxy)-N-(4-phenyldiazenylphenyl)acetamide
CID 7894150
2-(2-chlorophenoxy)-N-phenylacetamide
CID 853450
2-(2-bromophenoxy)-N-(3-methoxyphenyl)acetamide
CID 729437
2-(2-bromophenoxy)-N-methylacetamide
CID 8024487
2-(2-bromophenoxy)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 8603256
2-[2-bromo-4-[(4-bromoanilino)methyl]phenoxy]-N-phenylacetamide
CID 3910734
2-[[2-(2-bromophenoxy)acetyl]amino]acetic acid
CID 19176585
2-(2-chlorophenoxy)-N-(4-phenylphenyl)acetamide
CID 7926033
[2-oxo-2-(4-phenyldiazenylanilino)ethyl] 5-methylpyrazine-2-carboxylate
CID 7760622

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenoxy)-N-(4-phenyldiazenylphenyl)acetamide?
The IUPAC name of 2-(2-bromophenoxy)-N-(4-phenyldiazenylphenyl)acetamide (CID 7466856) is 2-(2-bromophenoxy)-N-(4-phenyldiazenylphenyl)acetamide.
What is the SMILES notation for 2-(2-bromophenoxy)-N-(4-phenyldiazenylphenyl)acetamide?
The canonical SMILES for 2-(2-bromophenoxy)-N-(4-phenyldiazenylphenyl)acetamide is O=C(COc1ccccc1Br)Nc1ccc(/N=N/c2ccccc2)cc1.
What is the InChIKey of 2-(2-bromophenoxy)-N-(4-phenyldiazenylphenyl)acetamide?
The InChIKey is PVUYZFDGVJQLBB-WCWDXBQESA-N. The full InChI is InChI=1S/C20H16BrN3O2/c21-18-8-4-5-9-19(18)26-14-20(25)22-15-10-12-17(13-11-15)24-23-16-6-2-1-3-7-16/h1-13H,14H2,(H,22,25)/b24-23+.
What are the key properties of 2-(2-bromophenoxy)-N-(4-phenyldiazenylphenyl)acetamide?
2-(2-bromophenoxy)-N-(4-phenyldiazenylphenyl)acetamide has a molecular weight of 410.27 g/mol, XLogP of 5.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenoxy)-N-(4-phenyldiazenylphenyl)acetamide is sourced from PubChem (CID 7466856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).