2-(2-bromophenoxy)-N-butylacetamide

C12H16BrNO2 — CID 55029150

IUPAC2-(2-bromophenoxy)-N-butylacetamide
SMILESCCCCNC(=O)COc1ccccc1Br
InChIInChI=1S/C12H16BrNO2/c1-2-3-8-14-12(15)9-16-11-7-5-4-6-10(11)13/h4-7H,2-3,8-9H2,1H3,(H,14,15)
InChIKeyLRWLJMOMXNKPEU-UHFFFAOYSA-N
MW286.17 g/mol
LogP2.74
Rot. Bonds6

About 2-(2-bromophenoxy)-N-butylacetamide

2-(2-bromophenoxy)-N-butylacetamide (PubChem CID 55029150) has the molecular formula C12H16BrNO2 and a molecular weight of 286.17 g/mol. Its IUPAC name is 2-(2-bromophenoxy)-N-butylacetamide.

Molecular Properties

Compound Name2-(2-bromophenoxy)-N-butylacetamide
PubChem CID55029150
Molecular FormulaC12H16BrNO2
Molecular Weight286.17 g/mol
Exact Mass285.04
IUPAC Name2-(2-bromophenoxy)-N-butylacetamide
SMILESCCCCNC(=O)COc1ccccc1Br
InChIInChI=1S/C12H16BrNO2/c1-2-3-8-14-12(15)9-16-11-7-5-4-6-10(11)13/h4-7H,2-3,8-9H2,1H3,(H,14,15)
InChIKeyLRWLJMOMXNKPEU-UHFFFAOYSA-N
XLogP2.74
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-2-(2-tert-butylphenoxy)acetamide
CID 7676560
2-(2-methylphenoxy)-N-pentylacetamide
CID 110756249
N-hexyl-2-(2-methoxyphenoxy)acetamide
CID 19169780
2-(2-bromophenoxy)-N-methylacetamide
CID 8024487
2-[[2-(2-bromophenoxy)acetyl]amino]acetic acid
CID 19176585
2-(2-bromo-4-chlorophenoxy)-N-pentylacetamide
CID 19201316
2-(2-bromophenoxy)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 7847687
2-(2-amino-3-methylphenoxy)-N-butylacetamide
CID 54956172
2-(2-bromophenoxy)-N-[2-(3-methylbutoxy)ethyl]acetamide
CID 60529897
2-[2-(aminomethyl)-6-bromophenoxy]-N-butylacetamide
CID 54956433
2-(2-bromophenoxy)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
CID 8957063
2-(2-bromophenoxy)-N-butan-2-ylacetamide
CID 19170000

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenoxy)-N-butylacetamide?
The IUPAC name of 2-(2-bromophenoxy)-N-butylacetamide (CID 55029150) is 2-(2-bromophenoxy)-N-butylacetamide.
What is the SMILES notation for 2-(2-bromophenoxy)-N-butylacetamide?
The canonical SMILES for 2-(2-bromophenoxy)-N-butylacetamide is CCCCNC(=O)COc1ccccc1Br.
What is the InChIKey of 2-(2-bromophenoxy)-N-butylacetamide?
The InChIKey is LRWLJMOMXNKPEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO2/c1-2-3-8-14-12(15)9-16-11-7-5-4-6-10(11)13/h4-7H,2-3,8-9H2,1H3,(H,14,15).
What are the key properties of 2-(2-bromophenoxy)-N-butylacetamide?
2-(2-bromophenoxy)-N-butylacetamide has a molecular weight of 286.17 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenoxy)-N-butylacetamide is sourced from PubChem (CID 55029150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).