8-bromo-N-oxooctanamide

C8H14BrNO2 — CID 118895802

IUPAC8-bromo-N-oxooctanamide
SMILESO=NC(=O)CCCCCCCBr
InChIInChI=1S/C8H14BrNO2/c9-7-5-3-1-2-4-6-8(11)10-12/h1-7H2
InChIKeySVPIUTVMBONEFX-UHFFFAOYSA-N
MW236.11 g/mol
LogP3.01
Rot. Bonds7

About 8-bromo-N-oxooctanamide

8-bromo-N-oxooctanamide (PubChem CID 118895802) has the molecular formula C8H14BrNO2 and a molecular weight of 236.11 g/mol. Its IUPAC name is 8-bromo-N-oxooctanamide.

Molecular Properties

Compound Name8-bromo-N-oxooctanamide
PubChem CID118895802
Molecular FormulaC8H14BrNO2
Molecular Weight236.11 g/mol
Exact Mass235.02
IUPAC Name8-bromo-N-oxooctanamide
SMILESO=NC(=O)CCCCCCCBr
InChIInChI=1S/C8H14BrNO2/c9-7-5-3-1-2-4-6-8(11)10-12/h1-7H2
InChIKeySVPIUTVMBONEFX-UHFFFAOYSA-N
XLogP3.01
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.11
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-oxotetradecanamide
CID 87730431
N-oxooctanamide
CID 87234486
methyl 20-bromoicosanoate
CID 155895697
N,5-dioxohexanamide
CID 146976894
20-bromo-N-hydroxyicosanamide
CID 87683991
32-bromo-N-hydroxydotriacontanamide
CID 87685342
2-(7-bromoheptanoyloxy)ethyl 7-bromoheptanoate
CID 176764920
10-bromodecyl 8-bromooctanoate
CID 71420607
6-(6-bromohexanoyloxy)hexyl 6-bromohexanoate
CID 20500750
8-bromooctyl 7-bromoheptanoate
CID 102434527
1,40-dibromotetracontane
CID 11614635
methyl 12-bromododecanoate;methyl 12-iodododecanoate
CID 161281247

Frequently Asked Questions

What is the IUPAC name of 8-bromo-N-oxooctanamide?
The IUPAC name of 8-bromo-N-oxooctanamide (CID 118895802) is 8-bromo-N-oxooctanamide.
What is the SMILES notation for 8-bromo-N-oxooctanamide?
The canonical SMILES for 8-bromo-N-oxooctanamide is O=NC(=O)CCCCCCCBr.
What is the InChIKey of 8-bromo-N-oxooctanamide?
The InChIKey is SVPIUTVMBONEFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14BrNO2/c9-7-5-3-1-2-4-6-8(11)10-12/h1-7H2.
What are the key properties of 8-bromo-N-oxooctanamide?
8-bromo-N-oxooctanamide has a molecular weight of 236.11 g/mol, XLogP of 3.01, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-N-oxooctanamide is sourced from PubChem (CID 118895802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).