2-bromo-N-octadecylacetamide

C20H40BrNO — CID 18764640

IUPAC2-bromo-N-octadecylacetamide
SMILESCCCCCCCCCCCCCCCCCCNC(=O)CBr
InChIInChI=1S/C20H40BrNO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-20(23)19-21/h2-19H2,1H3,(H,22,23)
InChIKeyDKNQDZVKKFNKSU-UHFFFAOYSA-N
MW390.45 g/mol
LogP6.76
Rot. Bonds18

About 2-bromo-N-octadecylacetamide

2-bromo-N-octadecylacetamide (PubChem CID 18764640) has the molecular formula C20H40BrNO and a molecular weight of 390.45 g/mol. Its IUPAC name is 2-bromo-N-octadecylacetamide.

Molecular Properties

Compound Name2-bromo-N-octadecylacetamide
PubChem CID18764640
Molecular FormulaC20H40BrNO
Molecular Weight390.45 g/mol
Exact Mass389.23
IUPAC Name2-bromo-N-octadecylacetamide
SMILESCCCCCCCCCCCCCCCCCCNC(=O)CBr
InChIInChI=1S/C20H40BrNO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-20(23)19-21/h2-19H2,1H3,(H,22,23)
InChIKeyDKNQDZVKKFNKSU-UHFFFAOYSA-N
XLogP6.76
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.45
LogP ≤ 56.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-bromo-N-octadecylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-octadecylacetamide?
The IUPAC name of 2-bromo-N-octadecylacetamide (CID 18764640) is 2-bromo-N-octadecylacetamide.
What is the SMILES notation for 2-bromo-N-octadecylacetamide?
The canonical SMILES for 2-bromo-N-octadecylacetamide is CCCCCCCCCCCCCCCCCCNC(=O)CBr.
What is the InChIKey of 2-bromo-N-octadecylacetamide?
The InChIKey is DKNQDZVKKFNKSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40BrNO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-20(23)19-21/h2-19H2,1H3,(H,22,23).
What are the key properties of 2-bromo-N-octadecylacetamide?
2-bromo-N-octadecylacetamide has a molecular weight of 390.45 g/mol, XLogP of 6.76, 18 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-octadecylacetamide is sourced from PubChem (CID 18764640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).