2-(4-bromo-2-methoxyphenyl)-N-cyclobutylacetamide

C13H16BrNO2 — CID 155293567

IUPAC2-(4-bromo-2-methoxyphenyl)-N-cyclobutylacetamide
SMILESCOc1cc(Br)ccc1CC(=O)NC1CCC1
InChIInChI=1S/C13H16BrNO2/c1-17-12-8-10(14)6-5-9(12)7-13(16)15-11-3-2-4-11/h5-6,8,11H,2-4,7H2,1H3,(H,15,16)
InChIKeyFPRNZQOYEYDHHU-UHFFFAOYSA-N
MW298.18 g/mol
LogP2.67
Rot. Bonds4

About 2-(4-bromo-2-methoxyphenyl)-N-cyclobutylacetamide

2-(4-bromo-2-methoxyphenyl)-N-cyclobutylacetamide (PubChem CID 155293567) has the molecular formula C13H16BrNO2 and a molecular weight of 298.18 g/mol. Its IUPAC name is 2-(4-bromo-2-methoxyphenyl)-N-cyclobutylacetamide.

Molecular Properties

Compound Name2-(4-bromo-2-methoxyphenyl)-N-cyclobutylacetamide
PubChem CID155293567
Molecular FormulaC13H16BrNO2
Molecular Weight298.18 g/mol
Exact Mass297.04
IUPAC Name2-(4-bromo-2-methoxyphenyl)-N-cyclobutylacetamide
SMILESCOc1cc(Br)ccc1CC(=O)NC1CCC1
InChIInChI=1S/C13H16BrNO2/c1-17-12-8-10(14)6-5-9(12)7-13(16)15-11-3-2-4-11/h5-6,8,11H,2-4,7H2,1H3,(H,15,16)
InChIKeyFPRNZQOYEYDHHU-UHFFFAOYSA-N
XLogP2.67
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 ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopentyl-2-(2,4-dimethoxyphenyl)acetamide
CID 17474203
N-cyclopentyl-2-(4-ethenyl-2-methoxyphenyl)acetamide
CID 176516245
2-(5-bromo-2-methoxyphenyl)-N-piperidin-4-ylacetamide;hydrochloride
CID 119387893
2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-N-cyclopentylacetamide
CID 27098608
2-(4-bromo-2-methoxyphenyl)-N-ethylacetamide;hydrochloride
CID 175415632
2-(5-bromo-2-methoxyanilino)-N-cycloheptylacetamide
CID 61063574
2-(4-bromo-2-methylphenyl)-N-cyclopropylacetamide
CID 166638837
N-cyclopentyl-2-(2,5-dimethoxy-4-methylphenyl)acetamide
CID 110769695
N-cycloheptyl-2-(2,5-dimethoxyphenyl)acetamide
CID 7580886
2-(4-chloro-2-methoxyphenyl)-N-(4-methylcyclohexyl)acetamide
CID 69039877
2-(5-bromo-2-methylphenoxy)-N-cyclopropylacetamide
CID 107284188
N-cyclohexyl-2-(2-methoxy-5-methylphenyl)acetamide
CID 18108630

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-methoxyphenyl)-N-cyclobutylacetamide?
The IUPAC name of 2-(4-bromo-2-methoxyphenyl)-N-cyclobutylacetamide (CID 155293567) is 2-(4-bromo-2-methoxyphenyl)-N-cyclobutylacetamide.
What is the SMILES notation for 2-(4-bromo-2-methoxyphenyl)-N-cyclobutylacetamide?
The canonical SMILES for 2-(4-bromo-2-methoxyphenyl)-N-cyclobutylacetamide is COc1cc(Br)ccc1CC(=O)NC1CCC1.
What is the InChIKey of 2-(4-bromo-2-methoxyphenyl)-N-cyclobutylacetamide?
The InChIKey is FPRNZQOYEYDHHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNO2/c1-17-12-8-10(14)6-5-9(12)7-13(16)15-11-3-2-4-11/h5-6,8,11H,2-4,7H2,1H3,(H,15,16).
What are the key properties of 2-(4-bromo-2-methoxyphenyl)-N-cyclobutylacetamide?
2-(4-bromo-2-methoxyphenyl)-N-cyclobutylacetamide has a molecular weight of 298.18 g/mol, XLogP of 2.67, 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-methoxyphenyl)-N-cyclobutylacetamide is sourced from PubChem (CID 155293567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).