2-(4-bromo-2-chlorophenoxy)-N-cyclohexylacetamide

C14H17BrClNO2 — CID 885937

IUPAC2-(4-bromo-2-chlorophenoxy)-N-cyclohexylacetamide
SMILESO=C(COc1ccc(Br)cc1Cl)NC1CCCCC1
InChIInChI=1S/C14H17BrClNO2/c15-10-6-7-13(12(16)8-10)19-9-14(18)17-11-4-2-1-3-5-11/h6-8,11H,1-5,9H2,(H,17,18)
InChIKeyJXYZKTGGUJCRQY-UHFFFAOYSA-N
MW346.65 g/mol
LogP3.93
Rot. Bonds4

About 2-(4-bromo-2-chlorophenoxy)-N-cyclohexylacetamide

2-(4-bromo-2-chlorophenoxy)-N-cyclohexylacetamide (PubChem CID 885937) has the molecular formula C14H17BrClNO2 and a molecular weight of 346.65 g/mol. Its IUPAC name is 2-(4-bromo-2-chlorophenoxy)-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-(4-bromo-2-chlorophenoxy)-N-cyclohexylacetamide
PubChem CID885937
Molecular FormulaC14H17BrClNO2
Molecular Weight346.65 g/mol
Exact Mass345.01
IUPAC Name2-(4-bromo-2-chlorophenoxy)-N-cyclohexylacetamide
SMILESO=C(COc1ccc(Br)cc1Cl)NC1CCCCC1
InChIInChI=1S/C14H17BrClNO2/c15-10-6-7-13(12(16)8-10)19-9-14(18)17-11-4-2-1-3-5-11/h6-8,11H,1-5,9H2,(H,17,18)
InChIKeyJXYZKTGGUJCRQY-UHFFFAOYSA-N
XLogP3.93
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.65
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromo-2-chlorophenoxy)-N-cyclohexyl-N-methylacetamide
CID 1226778
2-(2-chlorophenoxy)-N-[2-(1-cyclohexen-1-yl)ethyl]acetamide
CID 833323
2-(4-bromo-2-chlorophenoxy)-N,N-diethylacetamide
CID 885680
2-(4-Bromo-2-chlorophenoxy)-1-(pyrrolidin-1-yl)ethanone
CID 885808
2-(4-bromo-2-chlorophenoxy)-N,N-di(propan-2-yl)acetamide
CID 2230655
N-allyl-2-(4-bromo-2-chlorophenoxy)acetamide
CID 2234817
2-(4-bromo-2-chlorophenoxy)-N-(3-methoxypropyl)acetamide
CID 2906779
[3-(4-Bromo-2-chlorophenoxy)propyl](2-methoxyethyl)amine oxalate
CID 2922897
N-(1-benzylpiperidin-4-yl)-2-(4-bromo-2-chlorophenoxy)acetamide
CID 2970596
2-(4-bromo-2-chlorophenoxy)-N-(cyclopentylcarbamoyl)acetamide
CID 3882773
2-(2-chlorophenoxy)-N-cyclopropylacetamide
CID 977691
2-(4-bromo-2-chlorophenoxy)-N-(2-cyanoethyl)-N-methylacetamide
CID 2213840

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chlorophenoxy)-N-cyclohexylacetamide?
The IUPAC name of 2-(4-bromo-2-chlorophenoxy)-N-cyclohexylacetamide (CID 885937) is 2-(4-bromo-2-chlorophenoxy)-N-cyclohexylacetamide.
What is the SMILES notation for 2-(4-bromo-2-chlorophenoxy)-N-cyclohexylacetamide?
The canonical SMILES for 2-(4-bromo-2-chlorophenoxy)-N-cyclohexylacetamide is O=C(COc1ccc(Br)cc1Cl)NC1CCCCC1.
What is the InChIKey of 2-(4-bromo-2-chlorophenoxy)-N-cyclohexylacetamide?
The InChIKey is JXYZKTGGUJCRQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrClNO2/c15-10-6-7-13(12(16)8-10)19-9-14(18)17-11-4-2-1-3-5-11/h6-8,11H,1-5,9H2,(H,17,18).
What are the key properties of 2-(4-bromo-2-chlorophenoxy)-N-cyclohexylacetamide?
2-(4-bromo-2-chlorophenoxy)-N-cyclohexylacetamide has a molecular weight of 346.65 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-chlorophenoxy)-N-cyclohexylacetamide is sourced from PubChem (CID 885937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).