N-[2-(bromomethyl)cyclopentyl]-2-chlorobenzamide

C13H15BrClNO — CID 106366339

IUPACN-[2-(bromomethyl)cyclopentyl]-2-chlorobenzamide
SMILESO=C(NC1CCCC1CBr)c1ccccc1Cl
InChIInChI=1S/C13H15BrClNO/c14-8-9-4-3-7-12(9)16-13(17)10-5-1-2-6-11(10)15/h1-2,5-6,9,12H,3-4,7-8H2,(H,16,17)
InChIKeyLPVXXECIHAVVQV-UHFFFAOYSA-N
MW316.63 g/mol
LogP3.63
Rot. Bonds3

About N-[2-(bromomethyl)cyclopentyl]-2-chlorobenzamide

N-[2-(bromomethyl)cyclopentyl]-2-chlorobenzamide (PubChem CID 106366339) has the molecular formula C13H15BrClNO and a molecular weight of 316.63 g/mol. Its IUPAC name is N-[2-(bromomethyl)cyclopentyl]-2-chlorobenzamide.

Molecular Properties

Compound NameN-[2-(bromomethyl)cyclopentyl]-2-chlorobenzamide
PubChem CID106366339
Molecular FormulaC13H15BrClNO
Molecular Weight316.63 g/mol
Exact Mass315.00
IUPAC NameN-[2-(bromomethyl)cyclopentyl]-2-chlorobenzamide
SMILESO=C(NC1CCCC1CBr)c1ccccc1Cl
InChIInChI=1S/C13H15BrClNO/c14-8-9-4-3-7-12(9)16-13(17)10-5-1-2-6-11(10)15/h1-2,5-6,9,12H,3-4,7-8H2,(H,16,17)
InChIKeyLPVXXECIHAVVQV-UHFFFAOYSA-N
XLogP3.63
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.63
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[2-(bromomethyl)cyclopentyl]-2-chlorobenzamide 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]-3-chloro-2-fluorobenzamide
CID 114179501
N-[2-(bromomethyl)cyclohexyl]-3-chloro-2-fluorobenzamide
CID 106367232
N-(2-aminocyclopentyl)-2-chlorobenzamide
CID 63251263
N-[2-(bromomethyl)cyclohexyl]-2-chloro-3-fluorobenzamide
CID 106367046
2-bromo-N-[2-(bromomethyl)cyclopentyl]-5-chlorobenzamide
CID 106366480
2-chloro-N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]benzamide
CID 24872464
N-[2-(bromomethyl)cyclopentyl]-4-chloro-2-hydroxybenzamide
CID 106366538
N-[2-(bromomethyl)cyclopentyl]-2,5-dichlorothiophene-3-carboxamide
CID 106366353
N-[2-(bromomethyl)cyclopentyl]-2-iodo-3-methylbenzamide
CID 114179537
N-[[2-(bromomethyl)cyclohexyl]methyl]-2-chlorobenzamide
CID 114317422
N-[2-(bromomethyl)cyclopentyl]-2,6-dimethylpyridine-3-carboxamide
CID 114179479
N-[2-(bromomethyl)cyclopentyl]-2,4-dihydroxybenzamide
CID 106366292

Frequently Asked Questions

What is the IUPAC name of N-[2-(bromomethyl)cyclopentyl]-2-chlorobenzamide?
The IUPAC name of N-[2-(bromomethyl)cyclopentyl]-2-chlorobenzamide (CID 106366339) is N-[2-(bromomethyl)cyclopentyl]-2-chlorobenzamide.
What is the SMILES notation for N-[2-(bromomethyl)cyclopentyl]-2-chlorobenzamide?
The canonical SMILES for N-[2-(bromomethyl)cyclopentyl]-2-chlorobenzamide is O=C(NC1CCCC1CBr)c1ccccc1Cl.
What is the InChIKey of N-[2-(bromomethyl)cyclopentyl]-2-chlorobenzamide?
The InChIKey is LPVXXECIHAVVQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrClNO/c14-8-9-4-3-7-12(9)16-13(17)10-5-1-2-6-11(10)15/h1-2,5-6,9,12H,3-4,7-8H2,(H,16,17).
What are the key properties of N-[2-(bromomethyl)cyclopentyl]-2-chlorobenzamide?
N-[2-(bromomethyl)cyclopentyl]-2-chlorobenzamide has a molecular weight of 316.63 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(bromomethyl)cyclopentyl]-2-chlorobenzamide is sourced from PubChem (CID 106366339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).