2-(4-bromophenoxy)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide

C16H22BrNO3 — CID 115701234

IUPAC2-(4-bromophenoxy)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide
SMILESO=C(COc1ccc(Br)cc1)NCC1(CO)CCCCC1
InChIInChI=1S/C16H22BrNO3/c17-13-4-6-14(7-5-13)21-10-15(20)18-11-16(12-19)8-2-1-3-9-16/h4-7,19H,1-3,8-12H2,(H,18,20)
InChIKeyJOFQPDCGDAXYEF-UHFFFAOYSA-N
MW356.26 g/mol
LogP2.89
Rot. Bonds6

About 2-(4-bromophenoxy)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide

2-(4-bromophenoxy)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide (PubChem CID 115701234) has the molecular formula C16H22BrNO3 and a molecular weight of 356.26 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide
PubChem CID115701234
Molecular FormulaC16H22BrNO3
Molecular Weight356.26 g/mol
Exact Mass355.08
IUPAC Name2-(4-bromophenoxy)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide
SMILESO=C(COc1ccc(Br)cc1)NCC1(CO)CCCCC1
InChIInChI=1S/C16H22BrNO3/c17-13-4-6-14(7-5-13)21-10-15(20)18-11-16(12-19)8-2-1-3-9-16/h4-7,19H,1-3,8-12H2,(H,18,20)
InChIKeyJOFQPDCGDAXYEF-UHFFFAOYSA-N
XLogP2.89
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.26
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-bromophenoxy)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]propanamide
CID 115362467
2-(4-ethylphenoxy)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]acetamide
CID 115362312
1-[[2-(4-bromophenoxy)acetyl]amino]cyclohexane-1-carboxylic acid
CID 43239141
N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-2-phenoxyacetamide
CID 110292724
2-(3-chlorophenoxy)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]acetamide
CID 115362360
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-3-phenoxypropanamide
CID 110292567
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-(2-hydroxyphenoxy)acetamide
CID 115362129
2-(4-bromophenoxy)-N-(cyclobutylmethyl)acetamide
CID 94168869
1-(4-bromophenoxy)-3-[[1-(hydroxymethyl)cyclopentyl]methylamino]propan-2-ol
CID 115359592
1-(4-bromophenyl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]cyclopropane-1-carboxamide
CID 115362333
N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-(4-methoxyphenoxy)acetamide
CID 114751227
2-(2,4-difluorophenoxy)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]acetamide
CID 115362465

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide?
The IUPAC name of 2-(4-bromophenoxy)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide (CID 115701234) is 2-(4-bromophenoxy)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide?
The canonical SMILES for 2-(4-bromophenoxy)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide is O=C(COc1ccc(Br)cc1)NCC1(CO)CCCCC1.
What is the InChIKey of 2-(4-bromophenoxy)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide?
The InChIKey is JOFQPDCGDAXYEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrNO3/c17-13-4-6-14(7-5-13)21-10-15(20)18-11-16(12-19)8-2-1-3-9-16/h4-7,19H,1-3,8-12H2,(H,18,20).
What are the key properties of 2-(4-bromophenoxy)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide?
2-(4-bromophenoxy)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide has a molecular weight of 356.26 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide is sourced from PubChem (CID 115701234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).