1-(5-bromo-2-cyclopentyloxyphenyl)ethanone;N-[1-(5-bromo-2-cyclopentyloxyphenyl)ethylidene]hydroxylamine

C26H31Br2NO4 — CID 160524221

IUPAC1-(5-bromo-2-cyclopentyloxyphenyl)ethanone;N-[1-(5-bromo-2-cyclopentyloxyphenyl)ethylidene]hydroxylamine
SMILESCC(=NO)c1cc(Br)ccc1OC1CCCC1.CC(=O)c1cc(Br)ccc1OC1CCCC1
InChIInChI=1S/C13H16BrNO2.C13H15BrO2/c1-9(15-16)12-8-10(14)6-7-13(12)17-11-4-2-3-5-11;1-9(15)12-8-10(14)6-7-13(12)16-11-4-2-3-5-11/h6-8,11,16H,2-5H2,1H3;6-8,11H,2-5H2,1H3
InChIKeyQURHYKAQMLFRJM-UHFFFAOYSA-N
MW581.35 g/mol
LogP7.94
Rot. Bonds6

About 1-(5-bromo-2-cyclopentyloxyphenyl)ethanone;N-[1-(5-bromo-2-cyclopentyloxyphenyl)ethylidene]hydroxylamine

1-(5-bromo-2-cyclopentyloxyphenyl)ethanone;N-[1-(5-bromo-2-cyclopentyloxyphenyl)ethylidene]hydroxylamine (PubChem CID 160524221) has the molecular formula C26H31Br2NO4 and a molecular weight of 581.35 g/mol. Its IUPAC name is 1-(5-bromo-2-cyclopentyloxyphenyl)ethanone;N-[1-(5-bromo-2-cyclopentyloxyphenyl)ethylidene]hydroxylamine.

Molecular Properties

Compound Name1-(5-bromo-2-cyclopentyloxyphenyl)ethanone;N-[1-(5-bromo-2-cyclopentyloxyphenyl)ethylidene]hydroxylamine
PubChem CID160524221
Molecular FormulaC26H31Br2NO4
Molecular Weight581.35 g/mol
Exact Mass579.06
IUPAC Name1-(5-bromo-2-cyclopentyloxyphenyl)ethanone;N-[1-(5-bromo-2-cyclopentyloxyphenyl)ethylidene]hydroxylamine
SMILESCC(=NO)c1cc(Br)ccc1OC1CCCC1.CC(=O)c1cc(Br)ccc1OC1CCCC1
InChIInChI=1S/C13H16BrNO2.C13H15BrO2/c1-9(15-16)12-8-10(14)6-7-13(12)17-11-4-2-3-5-11;1-9(15)12-8-10(14)6-7-13(12)16-11-4-2-3-5-11/h6-8,11,16H,2-5H2,1H3;6-8,11H,2-5H2,1H3
InChIKeyQURHYKAQMLFRJM-UHFFFAOYSA-N
XLogP7.94
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500581.35
LogP ≤ 57.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-(5-bromo-2-cyclopentyloxyphenyl)ethanone;N-[1-(5-bromo-2-cyclopentyloxyphenyl)ethylidene]hydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

dipotassium;1-(5-bromo-2-cyclopentyloxyphenyl)ethanone;carbonate
CID 160914962
1-(4-bromo-2-cyclopentyloxyphenyl)ethanone
CID 70085923
(NZ)-N-[1-(2-cycloheptyloxy-5-methylphenyl)ethylidene]hydroxylamine
CID 82927238
(NE)-N-[1-(2-cyclopentyloxy-4-methylphenyl)ethylidene]hydroxylamine
CID 98566862
1-[5-bromo-2-(3,3,5-trimethylcyclohexyl)oxyphenyl]ethanone
CID 82971519
4-bromo-2-cyclopentyloxybenzoic acid
CID 60763632
1-[4-bromo-2-(4,4-dimethylcyclohexyl)oxyphenyl]ethanone
CID 114341240
(NE)-N-[1-(2-cyclopentyloxy-4-methoxyphenyl)ethylidene]hydroxylamine
CID 82001227
N-[1-[5-methyl-2-(4-methylcyclohexyl)oxyphenyl]ethylidene]hydroxylamine
CID 77052870
1-(5-bromo-2-methoxyphenyl)ethanone
CID 2757029
N-[1-[5-methyl-2-(oxan-4-yloxy)phenyl]ethylidene]hydroxylamine
CID 77013728
5-bromo-N'-hydroxy-2-(1-methylpiperidin-4-yl)oxybenzenecarboximidamide
CID 114892765

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-cyclopentyloxyphenyl)ethanone;N-[1-(5-bromo-2-cyclopentyloxyphenyl)ethylidene]hydroxylamine?
The IUPAC name of 1-(5-bromo-2-cyclopentyloxyphenyl)ethanone;N-[1-(5-bromo-2-cyclopentyloxyphenyl)ethylidene]hydroxylamine (CID 160524221) is 1-(5-bromo-2-cyclopentyloxyphenyl)ethanone;N-[1-(5-bromo-2-cyclopentyloxyphenyl)ethylidene]hydroxylamine.
What is the SMILES notation for 1-(5-bromo-2-cyclopentyloxyphenyl)ethanone;N-[1-(5-bromo-2-cyclopentyloxyphenyl)ethylidene]hydroxylamine?
The canonical SMILES for 1-(5-bromo-2-cyclopentyloxyphenyl)ethanone;N-[1-(5-bromo-2-cyclopentyloxyphenyl)ethylidene]hydroxylamine is CC(=NO)c1cc(Br)ccc1OC1CCCC1.CC(=O)c1cc(Br)ccc1OC1CCCC1.
What is the InChIKey of 1-(5-bromo-2-cyclopentyloxyphenyl)ethanone;N-[1-(5-bromo-2-cyclopentyloxyphenyl)ethylidene]hydroxylamine?
The InChIKey is QURHYKAQMLFRJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNO2.C13H15BrO2/c1-9(15-16)12-8-10(14)6-7-13(12)17-11-4-2-3-5-11;1-9(15)12-8-10(14)6-7-13(12)16-11-4-2-3-5-11/h6-8,11,16H,2-5H2,1H3;6-8,11H,2-5H2,1H3.
What are the key properties of 1-(5-bromo-2-cyclopentyloxyphenyl)ethanone;N-[1-(5-bromo-2-cyclopentyloxyphenyl)ethylidene]hydroxylamine?
1-(5-bromo-2-cyclopentyloxyphenyl)ethanone;N-[1-(5-bromo-2-cyclopentyloxyphenyl)ethylidene]hydroxylamine has a molecular weight of 581.35 g/mol, XLogP of 7.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-cyclopentyloxyphenyl)ethanone;N-[1-(5-bromo-2-cyclopentyloxyphenyl)ethylidene]hydroxylamine is sourced from PubChem (CID 160524221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).