N-[2-(bromomethyl)cyclopentyl]-2,4-dihydroxybenzamide

C13H16BrNO3 — CID 106366292

IUPACN-[2-(bromomethyl)cyclopentyl]-2,4-dihydroxybenzamide
SMILESO=C(NC1CCCC1CBr)c1ccc(O)cc1O
InChIInChI=1S/C13H16BrNO3/c14-7-8-2-1-3-11(8)15-13(18)10-5-4-9(16)6-12(10)17/h4-6,8,11,16-17H,1-3,7H2,(H,15,18)
InChIKeyHRIWANYVNYSEJY-UHFFFAOYSA-N
MW314.18 g/mol
LogP2.39
Rot. Bonds3

About N-[2-(bromomethyl)cyclopentyl]-2,4-dihydroxybenzamide

N-[2-(bromomethyl)cyclopentyl]-2,4-dihydroxybenzamide (PubChem CID 106366292) has the molecular formula C13H16BrNO3 and a molecular weight of 314.18 g/mol. Its IUPAC name is N-[2-(bromomethyl)cyclopentyl]-2,4-dihydroxybenzamide.

Molecular Properties

Compound NameN-[2-(bromomethyl)cyclopentyl]-2,4-dihydroxybenzamide
PubChem CID106366292
Molecular FormulaC13H16BrNO3
Molecular Weight314.18 g/mol
Exact Mass313.03
IUPAC NameN-[2-(bromomethyl)cyclopentyl]-2,4-dihydroxybenzamide
SMILESO=C(NC1CCCC1CBr)c1ccc(O)cc1O
InChIInChI=1S/C13H16BrNO3/c14-7-8-2-1-3-11(8)15-13(18)10-5-4-9(16)6-12(10)17/h4-6,8,11,16-17H,1-3,7H2,(H,15,18)
InChIKeyHRIWANYVNYSEJY-UHFFFAOYSA-N
XLogP2.39
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.18
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-(bromomethyl)cyclopentyl]-2,4-dihydroxybenzamide 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

N-[2-(bromomethyl)cyclopentyl]-4-chloro-2-hydroxybenzamide
CID 106366538
N-(2-aminocyclopentyl)-2,4-dihydroxybenzamide
CID 63251225
2,4-dihydroxy-N-(2-hydroxycyclohexyl)benzamide
CID 62366802
N-[2-(bromomethyl)cyclohexyl]-3-hydroxybenzamide
CID 106367295
N-[2-(bromomethyl)cyclopentyl]-2-chlorobenzamide
CID 106366339
2,4-dihydroxy-N-(2-methylcycloheptyl)benzamide
CID 103714355
5-bromo-N-[2-(bromomethyl)cyclopentyl]-2-methylbenzamide
CID 106366608
2-bromo-N-[2-(bromomethyl)cyclopentyl]-5-chlorobenzamide
CID 106366480
N-[2-(bromomethyl)cyclopentyl]-2,6-dimethylpyridine-3-carboxamide
CID 114179479
N-[2-(bromomethyl)cyclopentyl]-2,4,5-trifluoro-3-hydroxybenzamide
CID 106366436
N-[2-(chloromethyl)cyclohexyl]-2,5-dihydroxybenzamide
CID 114179613
N-[2-(bromomethyl)cyclopentyl]-2,5-dichlorothiophene-3-carboxamide
CID 106366353

Frequently Asked Questions

What is the IUPAC name of N-[2-(bromomethyl)cyclopentyl]-2,4-dihydroxybenzamide?
The IUPAC name of N-[2-(bromomethyl)cyclopentyl]-2,4-dihydroxybenzamide (CID 106366292) is N-[2-(bromomethyl)cyclopentyl]-2,4-dihydroxybenzamide.
What is the SMILES notation for N-[2-(bromomethyl)cyclopentyl]-2,4-dihydroxybenzamide?
The canonical SMILES for N-[2-(bromomethyl)cyclopentyl]-2,4-dihydroxybenzamide is O=C(NC1CCCC1CBr)c1ccc(O)cc1O.
What is the InChIKey of N-[2-(bromomethyl)cyclopentyl]-2,4-dihydroxybenzamide?
The InChIKey is HRIWANYVNYSEJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNO3/c14-7-8-2-1-3-11(8)15-13(18)10-5-4-9(16)6-12(10)17/h4-6,8,11,16-17H,1-3,7H2,(H,15,18).
What are the key properties of N-[2-(bromomethyl)cyclopentyl]-2,4-dihydroxybenzamide?
N-[2-(bromomethyl)cyclopentyl]-2,4-dihydroxybenzamide has a molecular weight of 314.18 g/mol, XLogP of 2.39, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(bromomethyl)cyclopentyl]-2,4-dihydroxybenzamide is sourced from PubChem (CID 106366292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).