2-bromo-N,N-didecylacetamide

C22H44BrNO — CID 532884

IUPAC2-bromo-N,N-didecylacetamide
SMILESCCCCCCCCCCN(CCCCCCCCCC)C(=O)CBr
InChIInChI=1S/C22H44BrNO/c1-3-5-7-9-11-13-15-17-19-24(22(25)21-23)20-18-16-14-12-10-8-6-4-2/h3-21H2,1-2H3
InChIKeyFPPRCDPCFMKQPQ-UHFFFAOYSA-N
MW418.50 g/mol
LogP7.49
Rot. Bonds19

About 2-bromo-N,N-didecylacetamide

2-bromo-N,N-didecylacetamide (PubChem CID 532884) has the molecular formula C22H44BrNO and a molecular weight of 418.50 g/mol. Its IUPAC name is 2-bromo-N,N-didecylacetamide.

Molecular Properties

Compound Name2-bromo-N,N-didecylacetamide
PubChem CID532884
Molecular FormulaC22H44BrNO
Molecular Weight418.50 g/mol
Exact Mass417.26
IUPAC Name2-bromo-N,N-didecylacetamide
SMILESCCCCCCCCCCN(CCCCCCCCCC)C(=O)CBr
InChIInChI=1S/C22H44BrNO/c1-3-5-7-9-11-13-15-17-19-24(22(25)21-23)20-18-16-14-12-10-8-6-4-2/h3-21H2,1-2H3
InChIKeyFPPRCDPCFMKQPQ-UHFFFAOYSA-N
XLogP7.49
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds19
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.50
LogP ≤ 57.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N,N-didecylacetamide?
The IUPAC name of 2-bromo-N,N-didecylacetamide (CID 532884) is 2-bromo-N,N-didecylacetamide.
What is the SMILES notation for 2-bromo-N,N-didecylacetamide?
The canonical SMILES for 2-bromo-N,N-didecylacetamide is CCCCCCCCCCN(CCCCCCCCCC)C(=O)CBr.
What is the InChIKey of 2-bromo-N,N-didecylacetamide?
The InChIKey is FPPRCDPCFMKQPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44BrNO/c1-3-5-7-9-11-13-15-17-19-24(22(25)21-23)20-18-16-14-12-10-8-6-4-2/h3-21H2,1-2H3.
What are the key properties of 2-bromo-N,N-didecylacetamide?
2-bromo-N,N-didecylacetamide has a molecular weight of 418.50 g/mol, XLogP of 7.49, 19 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N,N-didecylacetamide is sourced from PubChem (CID 532884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).