2-bromo-N-hexadecylacetamide

C18H36BrNO — CID 46736577

IUPAC2-bromo-N-hexadecylacetamide
SMILESCCCCCCCCCCCCCCCCNC(=O)CBr
InChIInChI=1S/C18H36BrNO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-18(21)17-19/h2-17H2,1H3,(H,20,21)
InChIKeySEFRJSBFZDHSLJ-UHFFFAOYSA-N
MW362.40 g/mol
LogP5.98
Rot. Bonds16

About 2-bromo-N-hexadecylacetamide

2-bromo-N-hexadecylacetamide (PubChem CID 46736577) has the molecular formula C18H36BrNO and a molecular weight of 362.40 g/mol. Its IUPAC name is 2-bromo-N-hexadecylacetamide.

Molecular Properties

Compound Name2-bromo-N-hexadecylacetamide
PubChem CID46736577
Molecular FormulaC18H36BrNO
Molecular Weight362.40 g/mol
Exact Mass361.20
IUPAC Name2-bromo-N-hexadecylacetamide
SMILESCCCCCCCCCCCCCCCCNC(=O)CBr
InChIInChI=1S/C18H36BrNO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-18(21)17-19/h2-17H2,1H3,(H,20,21)
InChIKeySEFRJSBFZDHSLJ-UHFFFAOYSA-N
XLogP5.98
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.40
LogP ≤ 55.98
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-hexadecylacetamide?
The IUPAC name of 2-bromo-N-hexadecylacetamide (CID 46736577) is 2-bromo-N-hexadecylacetamide.
What is the SMILES notation for 2-bromo-N-hexadecylacetamide?
The canonical SMILES for 2-bromo-N-hexadecylacetamide is CCCCCCCCCCCCCCCCNC(=O)CBr.
What is the InChIKey of 2-bromo-N-hexadecylacetamide?
The InChIKey is SEFRJSBFZDHSLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36BrNO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-18(21)17-19/h2-17H2,1H3,(H,20,21).
What are the key properties of 2-bromo-N-hexadecylacetamide?
2-bromo-N-hexadecylacetamide has a molecular weight of 362.40 g/mol, XLogP of 5.98, 16 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-hexadecylacetamide is sourced from PubChem (CID 46736577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).