N-[1-(bromomethyl)cyclopropyl]-2,5-dihydroxybenzamide

C11H12BrNO3 — CID 107726184

IUPACN-[1-(bromomethyl)cyclopropyl]-2,5-dihydroxybenzamide
SMILESO=C(NC1(CBr)CC1)c1cc(O)ccc1O
InChIInChI=1S/C11H12BrNO3/c12-6-11(3-4-11)13-10(16)8-5-7(14)1-2-9(8)15/h1-2,5,14-15H,3-4,6H2,(H,13,16)
InChIKeyGYYPLCVNMNMMMW-UHFFFAOYSA-N
MW286.12 g/mol
LogP1.76
Rot. Bonds3

About N-[1-(bromomethyl)cyclopropyl]-2,5-dihydroxybenzamide

N-[1-(bromomethyl)cyclopropyl]-2,5-dihydroxybenzamide (PubChem CID 107726184) has the molecular formula C11H12BrNO3 and a molecular weight of 286.12 g/mol. Its IUPAC name is N-[1-(bromomethyl)cyclopropyl]-2,5-dihydroxybenzamide.

Molecular Properties

Compound NameN-[1-(bromomethyl)cyclopropyl]-2,5-dihydroxybenzamide
PubChem CID107726184
Molecular FormulaC11H12BrNO3
Molecular Weight286.12 g/mol
Exact Mass285.00
IUPAC NameN-[1-(bromomethyl)cyclopropyl]-2,5-dihydroxybenzamide
SMILESO=C(NC1(CBr)CC1)c1cc(O)ccc1O
InChIInChI=1S/C11H12BrNO3/c12-6-11(3-4-11)13-10(16)8-5-7(14)1-2-9(8)15/h1-2,5,14-15H,3-4,6H2,(H,13,16)
InChIKeyGYYPLCVNMNMMMW-UHFFFAOYSA-N
XLogP1.76
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.12
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-[1-(bromomethyl)cyclopropyl]-2-hydroxybenzamide
CID 107730507
N-[1-(aminomethyl)cyclopropyl]-2,5-dihydroxybenzamide
CID 107726425
N-[1-(bromomethyl)-3-methylcyclohexyl]-2,5-dihydroxybenzamide
CID 107726052
N-[4-(bromomethyl)oxan-4-yl]-5-fluoro-2-hydroxybenzamide
CID 114170584
2,5-dihydroxy-N-[4-(hydroxymethyl)oxan-4-yl]benzamide
CID 106297310
N-[1-(bromomethyl)cyclobutyl]-2-fluoro-4-hydroxybenzamide
CID 107677747
N-[[1-(bromomethyl)cyclohexyl]methyl]-2,5-dihydroxybenzamide
CID 107726103
N-[1-(bromomethyl)cyclopentyl]-2-hydroxy-4-methoxybenzamide
CID 114311329
N-[1-(bromomethyl)cyclopentyl]-4-hydroxybenzamide
CID 114311351
N-[4-(bromomethyl)oxan-4-yl]-2-hydroxy-4-methylbenzamide
CID 106304683
2,5-dibromo-N-[1-(bromomethyl)cyclopropyl]thiophene-3-carboxamide
CID 107966316
4-bromo-N-[4-(bromomethyl)oxan-4-yl]-3-hydroxybenzamide
CID 114171064

Frequently Asked Questions

What is the IUPAC name of N-[1-(bromomethyl)cyclopropyl]-2,5-dihydroxybenzamide?
The IUPAC name of N-[1-(bromomethyl)cyclopropyl]-2,5-dihydroxybenzamide (CID 107726184) is N-[1-(bromomethyl)cyclopropyl]-2,5-dihydroxybenzamide.
What is the SMILES notation for N-[1-(bromomethyl)cyclopropyl]-2,5-dihydroxybenzamide?
The canonical SMILES for N-[1-(bromomethyl)cyclopropyl]-2,5-dihydroxybenzamide is O=C(NC1(CBr)CC1)c1cc(O)ccc1O.
What is the InChIKey of N-[1-(bromomethyl)cyclopropyl]-2,5-dihydroxybenzamide?
The InChIKey is GYYPLCVNMNMMMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO3/c12-6-11(3-4-11)13-10(16)8-5-7(14)1-2-9(8)15/h1-2,5,14-15H,3-4,6H2,(H,13,16).
What are the key properties of N-[1-(bromomethyl)cyclopropyl]-2,5-dihydroxybenzamide?
N-[1-(bromomethyl)cyclopropyl]-2,5-dihydroxybenzamide has a molecular weight of 286.12 g/mol, XLogP of 1.76, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(bromomethyl)cyclopropyl]-2,5-dihydroxybenzamide is sourced from PubChem (CID 107726184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).