1-bromo-N-(5-bromo-2-hydroxyphenyl)cyclobutane-1-carboxamide

C11H11Br2NO2 — CID 169189607

IUPAC1-bromo-N-(5-bromo-2-hydroxyphenyl)cyclobutane-1-carboxamide
SMILESO=C(Nc1cc(Br)ccc1O)C1(Br)CCC1
InChIInChI=1S/C11H11Br2NO2/c12-7-2-3-9(15)8(6-7)14-10(16)11(13)4-1-5-11/h2-3,6,15H,1,4-5H2,(H,14,16)
InChIKeyHOHWSJMYPBEFIY-UHFFFAOYSA-N
MW349.02 g/mol
LogP3.41
Rot. Bonds2

About 1-bromo-N-(5-bromo-2-hydroxyphenyl)cyclobutane-1-carboxamide

1-bromo-N-(5-bromo-2-hydroxyphenyl)cyclobutane-1-carboxamide (PubChem CID 169189607) has the molecular formula C11H11Br2NO2 and a molecular weight of 349.02 g/mol. Its IUPAC name is 1-bromo-N-(5-bromo-2-hydroxyphenyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-bromo-N-(5-bromo-2-hydroxyphenyl)cyclobutane-1-carboxamide
PubChem CID169189607
Molecular FormulaC11H11Br2NO2
Molecular Weight349.02 g/mol
Exact Mass346.92
IUPAC Name1-bromo-N-(5-bromo-2-hydroxyphenyl)cyclobutane-1-carboxamide
SMILESO=C(Nc1cc(Br)ccc1O)C1(Br)CCC1
InChIInChI=1S/C11H11Br2NO2/c12-7-2-3-9(15)8(6-7)14-10(16)11(13)4-1-5-11/h2-3,6,15H,1,4-5H2,(H,14,16)
InChIKeyHOHWSJMYPBEFIY-UHFFFAOYSA-N
XLogP3.41
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.02
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

1-amino-N-(5-bromo-2-methylphenyl)cyclobutane-1-carboxamide
CID 81179728
1-amino-N-(2,5-dibromophenyl)cyclopropane-1-carboxamide
CID 65465089
1-amino-N-(5-bromo-2-chlorophenyl)cyclohexane-1-carboxamide
CID 55131672
4-(5-bromo-2-hydroxyanilino)-4-oxobutanoic acid
CID 23822639
1-amino-N-(2,4-dibromophenyl)cyclohexane-1-carboxamide
CID 43702659
2-amino-4-bromophenol;N-(5-bromo-2-hydroxyphenyl)acetamide
CID 121267638
N-(5-bromo-2-methylphenyl)-1-methylcyclohexane-1-carboxamide
CID 106827400
(3S)-N-(5-bromo-2-hydroxyphenyl)piperidine-3-carboxamide
CID 81135195
1-amino-N-(4-bromo-2-methylphenyl)cyclohexane-1-carboxamide
CID 24696673
N-(5-bromo-2-hydroxyphenyl)acetamide;N-(5-bromo-2-methoxyphenyl)acetamide
CID 121410401
1-amino-N-(2-hydroxy-5-methylsulfonylphenyl)cyclopentane-1-carboxamide
CID 81433983
1-amino-N-(4-bromo-2-methylphenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119682529

Frequently Asked Questions

What is the IUPAC name of 1-bromo-N-(5-bromo-2-hydroxyphenyl)cyclobutane-1-carboxamide?
The IUPAC name of 1-bromo-N-(5-bromo-2-hydroxyphenyl)cyclobutane-1-carboxamide (CID 169189607) is 1-bromo-N-(5-bromo-2-hydroxyphenyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-bromo-N-(5-bromo-2-hydroxyphenyl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-bromo-N-(5-bromo-2-hydroxyphenyl)cyclobutane-1-carboxamide is O=C(Nc1cc(Br)ccc1O)C1(Br)CCC1.
What is the InChIKey of 1-bromo-N-(5-bromo-2-hydroxyphenyl)cyclobutane-1-carboxamide?
The InChIKey is HOHWSJMYPBEFIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Br2NO2/c12-7-2-3-9(15)8(6-7)14-10(16)11(13)4-1-5-11/h2-3,6,15H,1,4-5H2,(H,14,16).
What are the key properties of 1-bromo-N-(5-bromo-2-hydroxyphenyl)cyclobutane-1-carboxamide?
1-bromo-N-(5-bromo-2-hydroxyphenyl)cyclobutane-1-carboxamide has a molecular weight of 349.02 g/mol, XLogP of 3.41, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-N-(5-bromo-2-hydroxyphenyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 169189607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).