N-(6-bromohexyl)-2-phenoxyacetamide

C14H20BrNO2 — CID 114008509

IUPACN-(6-bromohexyl)-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)NCCCCCCBr
InChIInChI=1S/C14H20BrNO2/c15-10-6-1-2-7-11-16-14(17)12-18-13-8-4-3-5-9-13/h3-5,8-9H,1-2,6-7,10-12H2,(H,16,17)
InChIKeyMDJQHKRQCCAUCW-UHFFFAOYSA-N
MW314.22 g/mol
LogP3.14
Rot. Bonds9

About N-(6-bromohexyl)-2-phenoxyacetamide

N-(6-bromohexyl)-2-phenoxyacetamide (PubChem CID 114008509) has the molecular formula C14H20BrNO2 and a molecular weight of 314.22 g/mol. Its IUPAC name is N-(6-bromohexyl)-2-phenoxyacetamide.

Molecular Properties

Compound NameN-(6-bromohexyl)-2-phenoxyacetamide
PubChem CID114008509
Molecular FormulaC14H20BrNO2
Molecular Weight314.22 g/mol
Exact Mass313.07
IUPAC NameN-(6-bromohexyl)-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)NCCCCCCBr
InChIInChI=1S/C14H20BrNO2/c15-10-6-1-2-7-11-16-14(17)12-18-13-8-4-3-5-9-13/h3-5,8-9H,1-2,6-7,10-12H2,(H,16,17)
InChIKeyMDJQHKRQCCAUCW-UHFFFAOYSA-N
XLogP3.14
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.22
LogP ≤ 53.14
H-Bond Donors ≤ 51
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-(4-acetamidobutyl)-2-phenoxyacetamide
CID 110358551
N-(8-oxononyl)-2-phenoxyacetamide
CID 157092159
5-bromo-N-(3-phenoxypropyl)pentanamide
CID 107909983
N-[4-(diethylamino)butyl]-2-phenoxyacetamide
CID 110442217
N-hex-5-ynyl-2-phenoxyacetamide
CID 103758132
2-(4-bromophenoxy)-N-(3-phenoxypropyl)acetamide
CID 9245994
N-[5-(1,3-dihydroxypropan-2-yloxy)pentyl]-2-phenoxyacetamide
CID 139623089
N-[2-[(2-phenoxyacetyl)amino]ethyl]-2-(2-phenoxyethoxy)acetamide
CID 47045190
2-phenoxy-N-(3-sulfamoylpropyl)acetamide
CID 47336951
4-bromo-N-[2-[(2-phenoxyacetyl)amino]ethyl]benzamide
CID 38611489
N-(hydroxymethyl)-2-phenoxyacetamide
CID 12769641
2-(4-bromophenoxy)-N-(5-hydroxypentyl)acetamide
CID 107319029

Frequently Asked Questions

What is the IUPAC name of N-(6-bromohexyl)-2-phenoxyacetamide?
The IUPAC name of N-(6-bromohexyl)-2-phenoxyacetamide (CID 114008509) is N-(6-bromohexyl)-2-phenoxyacetamide.
What is the SMILES notation for N-(6-bromohexyl)-2-phenoxyacetamide?
The canonical SMILES for N-(6-bromohexyl)-2-phenoxyacetamide is O=C(COc1ccccc1)NCCCCCCBr.
What is the InChIKey of N-(6-bromohexyl)-2-phenoxyacetamide?
The InChIKey is MDJQHKRQCCAUCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO2/c15-10-6-1-2-7-11-16-14(17)12-18-13-8-4-3-5-9-13/h3-5,8-9H,1-2,6-7,10-12H2,(H,16,17).
What are the key properties of N-(6-bromohexyl)-2-phenoxyacetamide?
N-(6-bromohexyl)-2-phenoxyacetamide has a molecular weight of 314.22 g/mol, XLogP of 3.14, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromohexyl)-2-phenoxyacetamide is sourced from PubChem (CID 114008509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).