2-(4-bromophenoxy)-N-[2-(hydroxymethyl)cyclohexyl]acetamide

C15H20BrNO3 — CID 103798457

IUPAC2-(4-bromophenoxy)-N-[2-(hydroxymethyl)cyclohexyl]acetamide
SMILESO=C(COc1ccc(Br)cc1)NC1CCCCC1CO
InChIInChI=1S/C15H20BrNO3/c16-12-5-7-13(8-6-12)20-10-15(19)17-14-4-2-1-3-11(14)9-18/h5-8,11,14,18H,1-4,9-10H2,(H,17,19)
InChIKeyXNCDQRROCVYTIG-UHFFFAOYSA-N
MW342.23 g/mol
LogP2.50
Rot. Bonds5

About 2-(4-bromophenoxy)-N-[2-(hydroxymethyl)cyclohexyl]acetamide

2-(4-bromophenoxy)-N-[2-(hydroxymethyl)cyclohexyl]acetamide (PubChem CID 103798457) has the molecular formula C15H20BrNO3 and a molecular weight of 342.23 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-[2-(hydroxymethyl)cyclohexyl]acetamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-[2-(hydroxymethyl)cyclohexyl]acetamide
PubChem CID103798457
Molecular FormulaC15H20BrNO3
Molecular Weight342.23 g/mol
Exact Mass341.06
IUPAC Name2-(4-bromophenoxy)-N-[2-(hydroxymethyl)cyclohexyl]acetamide
SMILESO=C(COc1ccc(Br)cc1)NC1CCCCC1CO
InChIInChI=1S/C15H20BrNO3/c16-12-5-7-13(8-6-12)20-10-15(19)17-14-4-2-1-3-11(14)9-18/h5-8,11,14,18H,1-4,9-10H2,(H,17,19)
InChIKeyXNCDQRROCVYTIG-UHFFFAOYSA-N
XLogP2.50
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.23
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromophenoxy)-N-(2-methylcyclohexyl)acetamide;oxalic acid
CID 171154743
2-(4-bromophenoxy)-N-(2-methylpiperidin-3-yl)acetamide;hydrochloride
CID 120575570
2-(4-bromophenoxy)-N-[(2-hydroxycyclohexyl)methyl]acetamide
CID 64913623
2-(4-methylphenoxy)-N-[(1S,2S)-2-[[2-(4-methylphenoxy)acetyl]amino]cyclohexyl]acetamide
CID 1012632
2-(4-methoxyphenoxy)-N-[(1R,2R)-2-[[2-(4-methoxyphenoxy)acetyl]amino]cyclohexyl]acetamide
CID 1015196
N-[2-(aminomethyl)cyclohexyl]-2-(4-ethoxyphenoxy)acetamide;hydrochloride
CID 119610949
2-(2-aminophenoxy)-N-[2-(hydroxymethyl)cyclohexyl]acetamide
CID 106358626
2-(4-bromophenoxy)-N-piperidin-4-ylacetamide
CID 119386339
N-[2-(aminomethyl)cyclohexyl]-2-(4-propoxyphenoxy)acetamide
CID 119609351
N-[2-(aminomethyl)cyclohexyl]-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 119611391
2-(4-propan-2-ylphenoxy)-N-[(1S,2R)-2-[[2-(4-propan-2-ylphenoxy)acetyl]amino]cyclohexyl]acetamide
CID 27870934
2-(4-ethoxyphenoxy)-N-[(1S,2S)-2-hydroxycyclohexyl]acetamide
CID 104956604

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-[2-(hydroxymethyl)cyclohexyl]acetamide?
The IUPAC name of 2-(4-bromophenoxy)-N-[2-(hydroxymethyl)cyclohexyl]acetamide (CID 103798457) is 2-(4-bromophenoxy)-N-[2-(hydroxymethyl)cyclohexyl]acetamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N-[2-(hydroxymethyl)cyclohexyl]acetamide?
The canonical SMILES for 2-(4-bromophenoxy)-N-[2-(hydroxymethyl)cyclohexyl]acetamide is O=C(COc1ccc(Br)cc1)NC1CCCCC1CO.
What is the InChIKey of 2-(4-bromophenoxy)-N-[2-(hydroxymethyl)cyclohexyl]acetamide?
The InChIKey is XNCDQRROCVYTIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO3/c16-12-5-7-13(8-6-12)20-10-15(19)17-14-4-2-1-3-11(14)9-18/h5-8,11,14,18H,1-4,9-10H2,(H,17,19).
What are the key properties of 2-(4-bromophenoxy)-N-[2-(hydroxymethyl)cyclohexyl]acetamide?
2-(4-bromophenoxy)-N-[2-(hydroxymethyl)cyclohexyl]acetamide has a molecular weight of 342.23 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-N-[2-(hydroxymethyl)cyclohexyl]acetamide is sourced from PubChem (CID 103798457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).