5-bromo-N-[4-(dipropylcarbamoyl)phenyl]-2-hexoxybenzamide

C26H35BrN2O3 — CID 17196231

IUPAC5-bromo-N-[4-(dipropylcarbamoyl)phenyl]-2-hexoxybenzamide
SMILESCCCCCCOc1ccc(Br)cc1C(=O)Nc1ccc(C(=O)N(CCC)CCC)cc1
InChIInChI=1S/C26H35BrN2O3/c1-4-7-8-9-18-32-24-15-12-21(27)19-23(24)25(30)28-22-13-10-20(11-14-22)26(31)29(16-5-2)17-6-3/h10-15,19H,4-9,16-18H2,1-3H3,(H,28,30)
InChIKeyZBSPSWZKRSTXQV-UHFFFAOYSA-N
MW503.48 g/mol
LogP6.92
Rot. Bonds13

About 5-bromo-N-[4-(dipropylcarbamoyl)phenyl]-2-hexoxybenzamide

5-bromo-N-[4-(dipropylcarbamoyl)phenyl]-2-hexoxybenzamide (PubChem CID 17196231) has the molecular formula C26H35BrN2O3 and a molecular weight of 503.48 g/mol. Its IUPAC name is 5-bromo-N-[4-(dipropylcarbamoyl)phenyl]-2-hexoxybenzamide.

Molecular Properties

Compound Name5-bromo-N-[4-(dipropylcarbamoyl)phenyl]-2-hexoxybenzamide
PubChem CID17196231
Molecular FormulaC26H35BrN2O3
Molecular Weight503.48 g/mol
Exact Mass502.18
IUPAC Name5-bromo-N-[4-(dipropylcarbamoyl)phenyl]-2-hexoxybenzamide
SMILESCCCCCCOc1ccc(Br)cc1C(=O)Nc1ccc(C(=O)N(CCC)CCC)cc1
InChIInChI=1S/C26H35BrN2O3/c1-4-7-8-9-18-32-24-15-12-21(27)19-23(24)25(30)28-22-13-10-20(11-14-22)26(31)29(16-5-2)17-6-3/h10-15,19H,4-9,16-18H2,1-3H3,(H,28,30)
InChIKeyZBSPSWZKRSTXQV-UHFFFAOYSA-N
XLogP6.92
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.48
LogP ≤ 56.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-[4-[(5-bromo-2-hexoxybenzoyl)amino]phenyl]-2-hexoxybenzamide
CID 17344071
5-bromo-2-hexoxy-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 28642686
5-bromo-2-butoxy-N-(4-hexoxyphenyl)benzamide
CID 17350069
5-bromo-N-[[4-(diethylcarbamoyl)phenyl]carbamothioyl]-2-hexoxybenzamide
CID 17197158
5-bromo-N-[4-(dipropylsulfamoyl)phenyl]-2-hexoxybenzamide
CID 17343418
5-bromo-N-[4-(butan-2-ylcarbamoyl)phenyl]-2-hexoxybenzamide
CID 17201327
5-bromo-2-hexoxy-N-(4-nitrophenyl)benzamide
CID 17343379
5-bromo-2-butoxy-N-[4-[(4-tert-butylbenzoyl)amino]phenyl]benzamide
CID 17235078
5-bromo-N-[4-[3-(dimethylamino)-3-oxopropyl]phenyl]-2-hexoxybenzamide
CID 46760470
N-(3-acetamidophenyl)-5-bromo-2-hexoxybenzamide
CID 17189846
5-bromo-N-[4-(diethylcarbamoyl)phenyl]-2-methoxybenzamide
CID 17196839
5-bromo-2-hexoxy-N-[4-(propan-2-ylsulfamoyl)phenyl]benzamide
CID 17343411

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-(dipropylcarbamoyl)phenyl]-2-hexoxybenzamide?
The IUPAC name of 5-bromo-N-[4-(dipropylcarbamoyl)phenyl]-2-hexoxybenzamide (CID 17196231) is 5-bromo-N-[4-(dipropylcarbamoyl)phenyl]-2-hexoxybenzamide.
What is the SMILES notation for 5-bromo-N-[4-(dipropylcarbamoyl)phenyl]-2-hexoxybenzamide?
The canonical SMILES for 5-bromo-N-[4-(dipropylcarbamoyl)phenyl]-2-hexoxybenzamide is CCCCCCOc1ccc(Br)cc1C(=O)Nc1ccc(C(=O)N(CCC)CCC)cc1.
What is the InChIKey of 5-bromo-N-[4-(dipropylcarbamoyl)phenyl]-2-hexoxybenzamide?
The InChIKey is ZBSPSWZKRSTXQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35BrN2O3/c1-4-7-8-9-18-32-24-15-12-21(27)19-23(24)25(30)28-22-13-10-20(11-14-22)26(31)29(16-5-2)17-6-3/h10-15,19H,4-9,16-18H2,1-3H3,(H,28,30).
What are the key properties of 5-bromo-N-[4-(dipropylcarbamoyl)phenyl]-2-hexoxybenzamide?
5-bromo-N-[4-(dipropylcarbamoyl)phenyl]-2-hexoxybenzamide has a molecular weight of 503.48 g/mol, XLogP of 6.92, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[4-(dipropylcarbamoyl)phenyl]-2-hexoxybenzamide is sourced from PubChem (CID 17196231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).