N-(2-bromo-5-methoxyphenyl)-2-cyclobutylacetamide

C13H16BrNO2 — CID 103707213

IUPACN-(2-bromo-5-methoxyphenyl)-2-cyclobutylacetamide
SMILESCOc1ccc(Br)c(NC(=O)CC2CCC2)c1
InChIInChI=1S/C13H16BrNO2/c1-17-10-5-6-11(14)12(8-10)15-13(16)7-9-3-2-4-9/h5-6,8-9H,2-4,7H2,1H3,(H,15,16)
InChIKeyGRVRGIYONNHIAU-UHFFFAOYSA-N
MW298.18 g/mol
LogP3.59
Rot. Bonds4

About N-(2-bromo-5-methoxyphenyl)-2-cyclobutylacetamide

N-(2-bromo-5-methoxyphenyl)-2-cyclobutylacetamide (PubChem CID 103707213) has the molecular formula C13H16BrNO2 and a molecular weight of 298.18 g/mol. Its IUPAC name is N-(2-bromo-5-methoxyphenyl)-2-cyclobutylacetamide.

Molecular Properties

Compound NameN-(2-bromo-5-methoxyphenyl)-2-cyclobutylacetamide
PubChem CID103707213
Molecular FormulaC13H16BrNO2
Molecular Weight298.18 g/mol
Exact Mass297.04
IUPAC NameN-(2-bromo-5-methoxyphenyl)-2-cyclobutylacetamide
SMILESCOc1ccc(Br)c(NC(=O)CC2CCC2)c1
InChIInChI=1S/C13H16BrNO2/c1-17-10-5-6-11(14)12(8-10)15-13(16)7-9-3-2-4-9/h5-6,8-9H,2-4,7H2,1H3,(H,15,16)
InChIKeyGRVRGIYONNHIAU-UHFFFAOYSA-N
XLogP3.59
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.18
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromo-5-methoxyphenyl)-2-cyclopentylacetamide
CID 62416412
N-(2-amino-4-methoxyphenyl)-2-cycloheptylacetamide
CID 114457002
N-(2-bromo-5-methoxyphenyl)cycloheptanecarboxamide
CID 62780708
N-(2,4-dimethoxyphenyl)-2-(1-methylpiperidin-4-yl)acetamide
CID 95969570
N-(2-bromo-5-methoxyphenyl)pentanamide
CID 62416800
N-(2-bromophenyl)-2-cyclopentylacetamide
CID 24707693
2-amino-N-(2-bromo-5-methoxyphenyl)-1-methylcyclopentane-1-carboxamide
CID 82768541
1-(2-bromo-4-methoxyphenyl)-2-cyclohexylethanone
CID 54920032
2-cyclopropyl-N-(4-methoxyphenyl)acetamide
CID 3008382
N-(2-bromo-5-methylphenyl)-2-piperidin-4-ylacetamide
CID 82757301
3-amino-N-(2-bromo-5-methoxyphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119752414
N-(2-bromo-5-methoxyphenyl)piperidine-1-carboxamide
CID 79156264

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-methoxyphenyl)-2-cyclobutylacetamide?
The IUPAC name of N-(2-bromo-5-methoxyphenyl)-2-cyclobutylacetamide (CID 103707213) is N-(2-bromo-5-methoxyphenyl)-2-cyclobutylacetamide.
What is the SMILES notation for N-(2-bromo-5-methoxyphenyl)-2-cyclobutylacetamide?
The canonical SMILES for N-(2-bromo-5-methoxyphenyl)-2-cyclobutylacetamide is COc1ccc(Br)c(NC(=O)CC2CCC2)c1.
What is the InChIKey of N-(2-bromo-5-methoxyphenyl)-2-cyclobutylacetamide?
The InChIKey is GRVRGIYONNHIAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNO2/c1-17-10-5-6-11(14)12(8-10)15-13(16)7-9-3-2-4-9/h5-6,8-9H,2-4,7H2,1H3,(H,15,16).
What are the key properties of N-(2-bromo-5-methoxyphenyl)-2-cyclobutylacetamide?
N-(2-bromo-5-methoxyphenyl)-2-cyclobutylacetamide has a molecular weight of 298.18 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-methoxyphenyl)-2-cyclobutylacetamide is sourced from PubChem (CID 103707213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).