2-(4-bromophenoxy)-N-(5-hydroxypentyl)acetamide

C13H18BrNO3 — CID 107319029

IUPAC2-(4-bromophenoxy)-N-(5-hydroxypentyl)acetamide
SMILESO=C(COc1ccc(Br)cc1)NCCCCCO
InChIInChI=1S/C13H18BrNO3/c14-11-4-6-12(7-5-11)18-10-13(17)15-8-2-1-3-9-16/h4-7,16H,1-3,8-10H2,(H,15,17)
InChIKeyZBFNULAGRYKPQJ-UHFFFAOYSA-N
MW316.19 g/mol
LogP2.11
Rot. Bonds8

About 2-(4-bromophenoxy)-N-(5-hydroxypentyl)acetamide

2-(4-bromophenoxy)-N-(5-hydroxypentyl)acetamide (PubChem CID 107319029) has the molecular formula C13H18BrNO3 and a molecular weight of 316.19 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-(5-hydroxypentyl)acetamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-(5-hydroxypentyl)acetamide
PubChem CID107319029
Molecular FormulaC13H18BrNO3
Molecular Weight316.19 g/mol
Exact Mass315.05
IUPAC Name2-(4-bromophenoxy)-N-(5-hydroxypentyl)acetamide
SMILESO=C(COc1ccc(Br)cc1)NCCCCCO
InChIInChI=1S/C13H18BrNO3/c14-11-4-6-12(7-5-11)18-10-13(17)15-8-2-1-3-9-16/h4-7,16H,1-3,8-10H2,(H,15,17)
InChIKeyZBFNULAGRYKPQJ-UHFFFAOYSA-N
XLogP2.11
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.19
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-bromophenoxy)-N-(3-phenoxypropyl)acetamide
CID 9245994
N-(6-hydroxyhexyl)-2-(4-nitrophenoxy)acetamide
CID 103919606
N-(2-aminoethyl)-2-(4-bromophenoxy)acetamide;hydrochloride
CID 119382433
N-(3-hydroxypropyl)-2-(4-iodophenoxy)acetamide
CID 78798070
3-[[2-(4-bromophenoxy)acetyl]amino]propanamide
CID 122142658
2-(4-bromophenoxy)-N-(3-methylbutyl)acetamide
CID 60625494
2-(3,5-dimethylphenoxy)-N-(6-hydroxyhexyl)acetamide
CID 103919351
N-[3-[benzyl(methyl)amino]propyl]-2-(4-bromophenoxy)acetamide
CID 41306516
N-(6-bromohexyl)-2-phenoxyacetamide
CID 114008509
N-(3-hydroxypropyl)-2-(4-nitrophenoxy)acetamide
CID 43391408
2-[[2-(4-bromophenoxy)acetyl]amino]acetamide
CID 9011663
N-(4-chlorobutyl)-2-(4-chlorophenoxy)acetamide
CID 106845414

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-(5-hydroxypentyl)acetamide?
The IUPAC name of 2-(4-bromophenoxy)-N-(5-hydroxypentyl)acetamide (CID 107319029) is 2-(4-bromophenoxy)-N-(5-hydroxypentyl)acetamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N-(5-hydroxypentyl)acetamide?
The canonical SMILES for 2-(4-bromophenoxy)-N-(5-hydroxypentyl)acetamide is O=C(COc1ccc(Br)cc1)NCCCCCO.
What is the InChIKey of 2-(4-bromophenoxy)-N-(5-hydroxypentyl)acetamide?
The InChIKey is ZBFNULAGRYKPQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO3/c14-11-4-6-12(7-5-11)18-10-13(17)15-8-2-1-3-9-16/h4-7,16H,1-3,8-10H2,(H,15,17).
What are the key properties of 2-(4-bromophenoxy)-N-(5-hydroxypentyl)acetamide?
2-(4-bromophenoxy)-N-(5-hydroxypentyl)acetamide has a molecular weight of 316.19 g/mol, XLogP of 2.11, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-N-(5-hydroxypentyl)acetamide is sourced from PubChem (CID 107319029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).