2-(2-bromo-4-propan-2-ylphenoxy)-N-cyclopentylacetamide

C16H22BrNO2 — CID 893611

IUPAC2-(2-bromo-4-propan-2-ylphenoxy)-N-cyclopentylacetamide
SMILESCC(C)c1ccc(OCC(=O)NC2CCCC2)c(Br)c1
InChIInChI=1S/C16H22BrNO2/c1-11(2)12-7-8-15(14(17)9-12)20-10-16(19)18-13-5-3-4-6-13/h7-9,11,13H,3-6,10H2,1-2H3,(H,18,19)
InChIKeyDKKKVKWMGHHPJE-UHFFFAOYSA-N
MW340.26 g/mol
LogP4.01
Rot. Bonds5

About 2-(2-bromo-4-propan-2-ylphenoxy)-N-cyclopentylacetamide

2-(2-bromo-4-propan-2-ylphenoxy)-N-cyclopentylacetamide (PubChem CID 893611) has the molecular formula C16H22BrNO2 and a molecular weight of 340.26 g/mol. Its IUPAC name is 2-(2-bromo-4-propan-2-ylphenoxy)-N-cyclopentylacetamide.

Molecular Properties

Compound Name2-(2-bromo-4-propan-2-ylphenoxy)-N-cyclopentylacetamide
PubChem CID893611
Molecular FormulaC16H22BrNO2
Molecular Weight340.26 g/mol
Exact Mass339.08
IUPAC Name2-(2-bromo-4-propan-2-ylphenoxy)-N-cyclopentylacetamide
SMILESCC(C)c1ccc(OCC(=O)NC2CCCC2)c(Br)c1
InChIInChI=1S/C16H22BrNO2/c1-11(2)12-7-8-15(14(17)9-12)20-10-16(19)18-13-5-3-4-6-13/h7-9,11,13H,3-6,10H2,1-2H3,(H,18,19)
InChIKeyDKKKVKWMGHHPJE-UHFFFAOYSA-N
XLogP4.01
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.26
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromo-4-propan-2-ylphenoxy)-N-propan-2-ylacetamide
CID 19202796
2-(2-bromo-4-methoxyphenoxy)-N-cycloheptylacetamide
CID 104704670
N-cyclopropyl-2-(2-methoxy-4-propan-2-ylphenoxy)acetamide
CID 177158445
2-(2-bromo-4-propylphenoxy)-N-cycloheptylacetamide
CID 19201484
N-cyclopentyl-2-[4-(1-hydroxyethyl)-2-methoxyphenoxy]acetamide
CID 43416744
N-cyclopentyl-2-(2-methoxy-5-propan-2-ylphenyl)acetamide
CID 110767613
2-(2-bromo-4-propan-2-ylphenoxy)acetamide
CID 894118
2-[2-bromo-4-[(2-methylpropylamino)methyl]phenoxy]-N-cyclopropylacetamide
CID 63062862
2-[[2-(2-bromo-4-propan-2-ylphenoxy)acetyl]-[(2-fluorophenyl)methyl]amino]-N-cyclohexylpropanamide
CID 133174700
2-[[2-(2-bromo-4-propan-2-ylphenoxy)acetyl]-[(2,6-dichlorophenyl)methyl]amino]-N-cyclopentylbutanamide
CID 132632755
2-(2-bromo-4-methylphenoxy)-N-[(1S,2S)-2-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]cyclohexyl]acetamide
CID 1012712
2-[[2-(2-bromo-4-propan-2-ylphenoxy)acetyl]-(2-phenylethyl)amino]-N-cyclohexylbutanamide
CID 132625742

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-propan-2-ylphenoxy)-N-cyclopentylacetamide?
The IUPAC name of 2-(2-bromo-4-propan-2-ylphenoxy)-N-cyclopentylacetamide (CID 893611) is 2-(2-bromo-4-propan-2-ylphenoxy)-N-cyclopentylacetamide.
What is the SMILES notation for 2-(2-bromo-4-propan-2-ylphenoxy)-N-cyclopentylacetamide?
The canonical SMILES for 2-(2-bromo-4-propan-2-ylphenoxy)-N-cyclopentylacetamide is CC(C)c1ccc(OCC(=O)NC2CCCC2)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-propan-2-ylphenoxy)-N-cyclopentylacetamide?
The InChIKey is DKKKVKWMGHHPJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrNO2/c1-11(2)12-7-8-15(14(17)9-12)20-10-16(19)18-13-5-3-4-6-13/h7-9,11,13H,3-6,10H2,1-2H3,(H,18,19).
What are the key properties of 2-(2-bromo-4-propan-2-ylphenoxy)-N-cyclopentylacetamide?
2-(2-bromo-4-propan-2-ylphenoxy)-N-cyclopentylacetamide has a molecular weight of 340.26 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-propan-2-ylphenoxy)-N-cyclopentylacetamide is sourced from PubChem (CID 893611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).