4-[[4-(bromomethyl)phenyl]diazenyl]-N-dodecylbenzamide

C26H36BrN3O — CID 141482421

IUPAC4-[[4-(bromomethyl)phenyl]diazenyl]-N-dodecylbenzamide
SMILESCCCCCCCCCCCCNC(=O)c1ccc(/N=N/c2ccc(CBr)cc2)cc1
InChIInChI=1S/C26H36BrN3O/c1-2-3-4-5-6-7-8-9-10-11-20-28-26(31)23-14-18-25(19-15-23)30-29-24-16-12-22(21-27)13-17-24/h12-19H,2-11,20-21H2,1H3,(H,28,31)/b30-29+
InChIKeyGWMPFFUXPSTRQR-QVIHXGFCSA-N
MW486.50 g/mol
LogP8.65
Rot. Bonds15

About 4-[[4-(bromomethyl)phenyl]diazenyl]-N-dodecylbenzamide

4-[[4-(bromomethyl)phenyl]diazenyl]-N-dodecylbenzamide (PubChem CID 141482421) has the molecular formula C26H36BrN3O and a molecular weight of 486.50 g/mol. Its IUPAC name is 4-[[4-(bromomethyl)phenyl]diazenyl]-N-dodecylbenzamide.

Molecular Properties

Compound Name4-[[4-(bromomethyl)phenyl]diazenyl]-N-dodecylbenzamide
PubChem CID141482421
Molecular FormulaC26H36BrN3O
Molecular Weight486.50 g/mol
Exact Mass485.20
IUPAC Name4-[[4-(bromomethyl)phenyl]diazenyl]-N-dodecylbenzamide
SMILESCCCCCCCCCCCCNC(=O)c1ccc(/N=N/c2ccc(CBr)cc2)cc1
InChIInChI=1S/C26H36BrN3O/c1-2-3-4-5-6-7-8-9-10-11-20-28-26(31)23-14-18-25(19-15-23)30-29-24-16-12-22(21-27)13-17-24/h12-19H,2-11,20-21H2,1H3,(H,28,31)/b30-29+
InChIKeyGWMPFFUXPSTRQR-QVIHXGFCSA-N
XLogP8.65
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.50
LogP ≤ 58.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-dodecyl-4-[(4-methylphenyl)diazenyl]benzamide
CID 141482420
4-(chloromethyl)-N-hexylbenzamide
CID 43168029
N-hexyl-4-propylbenzamide
CID 70894310
4-(aminomethyl)-N-dodecylbenzamide
CID 67188292
N-pentyl-4-propylbenzamide
CID 70894308
4-bromo-N-hexadecylbenzamide
CID 54791037
4-bromo-N-pentylbenzamide
CID 4167913
N-decyl-4-hydroxybenzamide
CID 15277871
CID 131885807
CID 131885807
4-(hydroperoxymethyl)-N-octadecylbenzamide
CID 54494073
ethane;N-hexyl-4-[(propan-2-ylamino)methyl]benzamide
CID 171639538
4-tert-butyl-N-nonylbenzamide
CID 4642451

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(bromomethyl)phenyl]diazenyl]-N-dodecylbenzamide?
The IUPAC name of 4-[[4-(bromomethyl)phenyl]diazenyl]-N-dodecylbenzamide (CID 141482421) is 4-[[4-(bromomethyl)phenyl]diazenyl]-N-dodecylbenzamide.
What is the SMILES notation for 4-[[4-(bromomethyl)phenyl]diazenyl]-N-dodecylbenzamide?
The canonical SMILES for 4-[[4-(bromomethyl)phenyl]diazenyl]-N-dodecylbenzamide is CCCCCCCCCCCCNC(=O)c1ccc(/N=N/c2ccc(CBr)cc2)cc1.
What is the InChIKey of 4-[[4-(bromomethyl)phenyl]diazenyl]-N-dodecylbenzamide?
The InChIKey is GWMPFFUXPSTRQR-QVIHXGFCSA-N. The full InChI is InChI=1S/C26H36BrN3O/c1-2-3-4-5-6-7-8-9-10-11-20-28-26(31)23-14-18-25(19-15-23)30-29-24-16-12-22(21-27)13-17-24/h12-19H,2-11,20-21H2,1H3,(H,28,31)/b30-29+.
What are the key properties of 4-[[4-(bromomethyl)phenyl]diazenyl]-N-dodecylbenzamide?
4-[[4-(bromomethyl)phenyl]diazenyl]-N-dodecylbenzamide has a molecular weight of 486.50 g/mol, XLogP of 8.65, 15 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(bromomethyl)phenyl]diazenyl]-N-dodecylbenzamide is sourced from PubChem (CID 141482421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).