5-bromo-N-methylpentanamide

C6H12BrNO — CID 19971018

IUPAC5-bromo-N-methylpentanamide
SMILESCNC(=O)CCCCBr
InChIInChI=1S/C6H12BrNO/c1-8-6(9)4-2-3-5-7/h2-5H2,1H3,(H,8,9)
InChIKeyIAAVVLBKFSVWGA-UHFFFAOYSA-N
MW194.07 g/mol
LogP1.30
Rot. Bonds4

About 5-bromo-N-methylpentanamide

5-bromo-N-methylpentanamide (PubChem CID 19971018) has the molecular formula C6H12BrNO and a molecular weight of 194.07 g/mol. Its IUPAC name is 5-bromo-N-methylpentanamide.

Molecular Properties

Compound Name5-bromo-N-methylpentanamide
PubChem CID19971018
Molecular FormulaC6H12BrNO
Molecular Weight194.07 g/mol
Exact Mass193.01
IUPAC Name5-bromo-N-methylpentanamide
SMILESCNC(=O)CCCCBr
InChIInChI=1S/C6H12BrNO/c1-8-6(9)4-2-3-5-7/h2-5H2,1H3,(H,8,9)
InChIKeyIAAVVLBKFSVWGA-UHFFFAOYSA-N
XLogP1.30
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.07
LogP ≤ 51.30
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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Related Compounds

N,N'-dimethylheptanediamide
CID 15166696
3-bromo-N-methylpropanamide
CID 23033748
ethane;N-methyltetradecanamide
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20-bromo-N-hydroxyicosanamide
CID 87683991
N-methylheptacosanamide
CID 18175889
6-(methylamino)-6-oxohexanoic acid;pentanedioic acid
CID 175448112
N-methylnonadecanamide
CID 2724821
32-bromo-N-hydroxydotriacontanamide
CID 87685342
N-methylundecanamide
CID 23297450
N-methyl-6-sulfanylhexanamide
CID 58262294
CID 59445332
CID 59445332
N-methyl-11-(methylamino)undecanamide
CID 59809097

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-methylpentanamide?
The IUPAC name of 5-bromo-N-methylpentanamide (CID 19971018) is 5-bromo-N-methylpentanamide.
What is the SMILES notation for 5-bromo-N-methylpentanamide?
The canonical SMILES for 5-bromo-N-methylpentanamide is CNC(=O)CCCCBr.
What is the InChIKey of 5-bromo-N-methylpentanamide?
The InChIKey is IAAVVLBKFSVWGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12BrNO/c1-8-6(9)4-2-3-5-7/h2-5H2,1H3,(H,8,9).
What are the key properties of 5-bromo-N-methylpentanamide?
5-bromo-N-methylpentanamide has a molecular weight of 194.07 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-methylpentanamide is sourced from PubChem (CID 19971018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).