4-bromo-N-hexadecylbenzamide

C23H38BrNO — CID 54791037

IUPAC4-bromo-N-hexadecylbenzamide
SMILESCCCCCCCCCCCCCCCCNC(=O)c1ccc(Br)cc1
InChIInChI=1S/C23H38BrNO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-25-23(26)21-16-18-22(24)19-17-21/h16-19H,2-15,20H2,1H3,(H,25,26)
InChIKeyOGAFSNZNDSVMRC-UHFFFAOYSA-N
MW424.47 g/mol
LogP7.66
Rot. Bonds16

About 4-bromo-N-hexadecylbenzamide

4-bromo-N-hexadecylbenzamide (PubChem CID 54791037) has the molecular formula C23H38BrNO and a molecular weight of 424.47 g/mol. Its IUPAC name is 4-bromo-N-hexadecylbenzamide.

Molecular Properties

Compound Name4-bromo-N-hexadecylbenzamide
PubChem CID54791037
Molecular FormulaC23H38BrNO
Molecular Weight424.47 g/mol
Exact Mass423.21
IUPAC Name4-bromo-N-hexadecylbenzamide
SMILESCCCCCCCCCCCCCCCCNC(=O)c1ccc(Br)cc1
InChIInChI=1S/C23H38BrNO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-25-23(26)21-16-18-22(24)19-17-21/h16-19H,2-15,20H2,1H3,(H,25,26)
InChIKeyOGAFSNZNDSVMRC-UHFFFAOYSA-N
XLogP7.66
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.47
LogP ≤ 57.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-N-pentylbenzamide
CID 4167913
4-bromo-N-[2-(butylcarbamoylamino)ethyl]benzamide
CID 47322695
4-bromo-N-[2-[(N'-methyl-N-pentylcarbamimidoyl)amino]ethyl]benzamide
CID 111130074
CID 131885807
CID 131885807
N-decyl-4-hydroxybenzamide
CID 15277871
4-N-(4-bromophenyl)-1-N-butylbenzene-1,4-dicarboxamide
CID 109043765
4-tert-butyl-N-nonylbenzamide
CID 4642451
N-decyl-4-sulfanylbenzamide
CID 107032455
3-bromo-N-dodecylbenzamide
CID 603918
methyl 4-(heptadecylcarbamoyl)benzoate
CID 177386884
4-(chloromethyl)-N-hexylbenzamide
CID 43168029
N-hexyl-4-propylbenzamide
CID 70894310

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-hexadecylbenzamide?
The IUPAC name of 4-bromo-N-hexadecylbenzamide (CID 54791037) is 4-bromo-N-hexadecylbenzamide.
What is the SMILES notation for 4-bromo-N-hexadecylbenzamide?
The canonical SMILES for 4-bromo-N-hexadecylbenzamide is CCCCCCCCCCCCCCCCNC(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-hexadecylbenzamide?
The InChIKey is OGAFSNZNDSVMRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38BrNO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-25-23(26)21-16-18-22(24)19-17-21/h16-19H,2-15,20H2,1H3,(H,25,26).
What are the key properties of 4-bromo-N-hexadecylbenzamide?
4-bromo-N-hexadecylbenzamide has a molecular weight of 424.47 g/mol, XLogP of 7.66, 16 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-hexadecylbenzamide is sourced from PubChem (CID 54791037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).