2-(2,4-dibromophenoxy)-N-(5-hydroxy-4-methylpentyl)acetamide

C14H19Br2NO3 — CID 103862131

IUPAC2-(2,4-dibromophenoxy)-N-(5-hydroxy-4-methylpentyl)acetamide
SMILESCC(CO)CCCNC(=O)COc1ccc(Br)cc1Br
InChIInChI=1S/C14H19Br2NO3/c1-10(8-18)3-2-6-17-14(19)9-20-13-5-4-11(15)7-12(13)16/h4-5,7,10,18H,2-3,6,8-9H2,1H3,(H,17,19)
InChIKeyVYJURFBXPLWQJN-UHFFFAOYSA-N
MW409.12 g/mol
LogP3.12
Rot. Bonds8

About 2-(2,4-dibromophenoxy)-N-(5-hydroxy-4-methylpentyl)acetamide

2-(2,4-dibromophenoxy)-N-(5-hydroxy-4-methylpentyl)acetamide (PubChem CID 103862131) has the molecular formula C14H19Br2NO3 and a molecular weight of 409.12 g/mol. Its IUPAC name is 2-(2,4-dibromophenoxy)-N-(5-hydroxy-4-methylpentyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dibromophenoxy)-N-(5-hydroxy-4-methylpentyl)acetamide
PubChem CID103862131
Molecular FormulaC14H19Br2NO3
Molecular Weight409.12 g/mol
Exact Mass406.97
IUPAC Name2-(2,4-dibromophenoxy)-N-(5-hydroxy-4-methylpentyl)acetamide
SMILESCC(CO)CCCNC(=O)COc1ccc(Br)cc1Br
InChIInChI=1S/C14H19Br2NO3/c1-10(8-18)3-2-6-17-14(19)9-20-13-5-4-11(15)7-12(13)16/h4-5,7,10,18H,2-3,6,8-9H2,1H3,(H,17,19)
InChIKeyVYJURFBXPLWQJN-UHFFFAOYSA-N
XLogP3.12
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.12
LogP ≤ 53.12
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

3-(3-bromo-4-methoxyphenyl)-N-(5-hydroxy-4-methylpentyl)propanamide
CID 103861986
2-(2,3-dimethylphenoxy)-N-(5-hydroxy-4-methylpentyl)acetamide
CID 103861418
(2R)-2-[[2-(2,4-dibromophenoxy)acetyl]amino]propanoic acid
CID 54991092
2-(4-bromo-2-methylphenoxy)-N-[3-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]propyl]acetamide
CID 4981184
2-(2,4-dibromophenoxy)-N-(1-methoxypropan-2-yl)acetamide
CID 18161002
3-(3-bromophenoxy)-N-(5-hydroxy-4-methylpentyl)propanamide
CID 103861618
2-(4-bromo-2-fluorophenoxy)-N-(3-methylbutyl)acetamide
CID 78766268
2-(4-bromo-2-chlorophenoxy)-N-[3-(methylamino)propyl]acetamide
CID 119434089
N-[2-(4-chlorophenyl)ethyl]-2-(2,4-dibromophenoxy)acetamide
CID 2632590
2-(4-bromo-2-propan-2-ylphenoxy)-N-(3-methylbutyl)acetamide
CID 115401978
2-(2,4-dibromophenoxy)-N-methoxyacetamide
CID 33099382
2-[4-bromo-2-[(1S)-1-hydroxyethyl]phenoxy]-N-(3-methylbutyl)acetamide
CID 63365838

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dibromophenoxy)-N-(5-hydroxy-4-methylpentyl)acetamide?
The IUPAC name of 2-(2,4-dibromophenoxy)-N-(5-hydroxy-4-methylpentyl)acetamide (CID 103862131) is 2-(2,4-dibromophenoxy)-N-(5-hydroxy-4-methylpentyl)acetamide.
What is the SMILES notation for 2-(2,4-dibromophenoxy)-N-(5-hydroxy-4-methylpentyl)acetamide?
The canonical SMILES for 2-(2,4-dibromophenoxy)-N-(5-hydroxy-4-methylpentyl)acetamide is CC(CO)CCCNC(=O)COc1ccc(Br)cc1Br.
What is the InChIKey of 2-(2,4-dibromophenoxy)-N-(5-hydroxy-4-methylpentyl)acetamide?
The InChIKey is VYJURFBXPLWQJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Br2NO3/c1-10(8-18)3-2-6-17-14(19)9-20-13-5-4-11(15)7-12(13)16/h4-5,7,10,18H,2-3,6,8-9H2,1H3,(H,17,19).
What are the key properties of 2-(2,4-dibromophenoxy)-N-(5-hydroxy-4-methylpentyl)acetamide?
2-(2,4-dibromophenoxy)-N-(5-hydroxy-4-methylpentyl)acetamide has a molecular weight of 409.12 g/mol, XLogP of 3.12, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dibromophenoxy)-N-(5-hydroxy-4-methylpentyl)acetamide is sourced from PubChem (CID 103862131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).