5-bromo-N-[1-(bromomethyl)cyclopropyl]-2-hydroxybenzamide

C11H11Br2NO2 — CID 107730507

IUPAC5-bromo-N-[1-(bromomethyl)cyclopropyl]-2-hydroxybenzamide
SMILESO=C(NC1(CBr)CC1)c1cc(Br)ccc1O
InChIInChI=1S/C11H11Br2NO2/c12-6-11(3-4-11)14-10(16)8-5-7(13)1-2-9(8)15/h1-2,5,15H,3-4,6H2,(H,14,16)
InChIKeyXRVOMQLEYMWQHW-UHFFFAOYSA-N
MW349.02 g/mol
LogP2.81
Rot. Bonds3

About 5-bromo-N-[1-(bromomethyl)cyclopropyl]-2-hydroxybenzamide

5-bromo-N-[1-(bromomethyl)cyclopropyl]-2-hydroxybenzamide (PubChem CID 107730507) has the molecular formula C11H11Br2NO2 and a molecular weight of 349.02 g/mol. Its IUPAC name is 5-bromo-N-[1-(bromomethyl)cyclopropyl]-2-hydroxybenzamide.

Molecular Properties

Compound Name5-bromo-N-[1-(bromomethyl)cyclopropyl]-2-hydroxybenzamide
PubChem CID107730507
Molecular FormulaC11H11Br2NO2
Molecular Weight349.02 g/mol
Exact Mass346.92
IUPAC Name5-bromo-N-[1-(bromomethyl)cyclopropyl]-2-hydroxybenzamide
SMILESO=C(NC1(CBr)CC1)c1cc(Br)ccc1O
InChIInChI=1S/C11H11Br2NO2/c12-6-11(3-4-11)14-10(16)8-5-7(13)1-2-9(8)15/h1-2,5,15H,3-4,6H2,(H,14,16)
InChIKeyXRVOMQLEYMWQHW-UHFFFAOYSA-N
XLogP2.81
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.02
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(bromomethyl)cyclopropyl]-2,5-dihydroxybenzamide
CID 107726184
2,4-dibromo-N-[1-(bromomethyl)cyclobutyl]benzamide
CID 107941451
4-bromo-2-hydroxy-N-[1-(hydroxymethyl)cyclopropyl]benzamide
CID 115883921
N-[4-(bromomethyl)oxan-4-yl]-5-fluoro-2-hydroxybenzamide
CID 114170584
5-bromo-2-hydroxy-N-(1-methylcyclohexyl)benzamide
CID 107729723
4-bromo-N-[1-(bromomethyl)cyclohexyl]-2-chlorobenzamide
CID 113275517
5-bromo-2-hydroxy-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzamide
CID 107729897
5-bromo-2-chloro-N-[1-(hydroxymethyl)cyclopropyl]benzamide
CID 115764614
2,5-dibromo-N-[1-(bromomethyl)cyclopropyl]thiophene-3-carboxamide
CID 107966316
N-[1-(aminomethyl)cyclopropyl]-2,5-dihydroxybenzamide
CID 107726425
N-[1-(bromomethyl)-3-methylcyclohexyl]-2,5-dihydroxybenzamide
CID 107726052
5-bromo-N-[[1-(chloromethyl)cyclopropyl]methyl]-2-hydroxybenzamide
CID 107730444

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[1-(bromomethyl)cyclopropyl]-2-hydroxybenzamide?
The IUPAC name of 5-bromo-N-[1-(bromomethyl)cyclopropyl]-2-hydroxybenzamide (CID 107730507) is 5-bromo-N-[1-(bromomethyl)cyclopropyl]-2-hydroxybenzamide.
What is the SMILES notation for 5-bromo-N-[1-(bromomethyl)cyclopropyl]-2-hydroxybenzamide?
The canonical SMILES for 5-bromo-N-[1-(bromomethyl)cyclopropyl]-2-hydroxybenzamide is O=C(NC1(CBr)CC1)c1cc(Br)ccc1O.
What is the InChIKey of 5-bromo-N-[1-(bromomethyl)cyclopropyl]-2-hydroxybenzamide?
The InChIKey is XRVOMQLEYMWQHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Br2NO2/c12-6-11(3-4-11)14-10(16)8-5-7(13)1-2-9(8)15/h1-2,5,15H,3-4,6H2,(H,14,16).
What are the key properties of 5-bromo-N-[1-(bromomethyl)cyclopropyl]-2-hydroxybenzamide?
5-bromo-N-[1-(bromomethyl)cyclopropyl]-2-hydroxybenzamide has a molecular weight of 349.02 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[1-(bromomethyl)cyclopropyl]-2-hydroxybenzamide is sourced from PubChem (CID 107730507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).