2-bromo-N-pentylhexanamide

C11H22BrNO — CID 110839235

IUPAC2-bromo-N-pentylhexanamide
SMILESCCCCCNC(=O)C(Br)CCCC
InChIInChI=1S/C11H22BrNO/c1-3-5-7-9-13-11(14)10(12)8-6-4-2/h10H,3-9H2,1-2H3,(H,13,14)
InChIKeyRUXJKZBTKYLNIM-UHFFFAOYSA-N
MW264.21 g/mol
LogP3.25
Rot. Bonds8

About 2-bromo-N-pentylhexanamide

2-bromo-N-pentylhexanamide (PubChem CID 110839235) has the molecular formula C11H22BrNO and a molecular weight of 264.21 g/mol. Its IUPAC name is 2-bromo-N-pentylhexanamide.

Molecular Properties

Compound Name2-bromo-N-pentylhexanamide
PubChem CID110839235
Molecular FormulaC11H22BrNO
Molecular Weight264.21 g/mol
Exact Mass263.09
IUPAC Name2-bromo-N-pentylhexanamide
SMILESCCCCCNC(=O)C(Br)CCCC
InChIInChI=1S/C11H22BrNO/c1-3-5-7-9-13-11(14)10(12)8-6-4-2/h10H,3-9H2,1-2H3,(H,13,14)
InChIKeyRUXJKZBTKYLNIM-UHFFFAOYSA-N
XLogP3.25
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.21
LogP ≤ 53.25
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

2-bromo-N-(2-methylpropyl)hexanamide
CID 110839076
2-ethyl-N-pentylhexanamide
CID 5123867
2-amino-N-hexylhexanamide
CID 60852762
N-octadecyl-2-octylicosanamide
CID 154636535
(2S)-2-amino-N-dodecylhexanamide;hydrochloride
CID 135364190
(2R,3R)-N,N'-dihexyl-2,3-dihydroxybutanediamide
CID 11392932
2-methyl-N-nonyldecanamide
CID 141429494
6,8-dibromotridecan-7-one
CID 87601388
(2S)-2-bromo-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]hexanamide
CID 10780106
2-ethyl-N-undecylpentanamide
CID 160695439
2-bromo-N-(2-ethylhexyl)butanamide
CID 62854370
2-bromohexanoic acid;ethane
CID 88646283

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-pentylhexanamide?
The IUPAC name of 2-bromo-N-pentylhexanamide (CID 110839235) is 2-bromo-N-pentylhexanamide.
What is the SMILES notation for 2-bromo-N-pentylhexanamide?
The canonical SMILES for 2-bromo-N-pentylhexanamide is CCCCCNC(=O)C(Br)CCCC.
What is the InChIKey of 2-bromo-N-pentylhexanamide?
The InChIKey is RUXJKZBTKYLNIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22BrNO/c1-3-5-7-9-13-11(14)10(12)8-6-4-2/h10H,3-9H2,1-2H3,(H,13,14).
What are the key properties of 2-bromo-N-pentylhexanamide?
2-bromo-N-pentylhexanamide has a molecular weight of 264.21 g/mol, XLogP of 3.25, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-pentylhexanamide is sourced from PubChem (CID 110839235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).