N-[2-(bromomethyl)cyclopentyl]-2,5-dimethoxybenzamide

C15H20BrNO3 — CID 106366534

IUPACN-[2-(bromomethyl)cyclopentyl]-2,5-dimethoxybenzamide
SMILESCOc1ccc(OC)c(C(=O)NC2CCCC2CBr)c1
InChIInChI=1S/C15H20BrNO3/c1-19-11-6-7-14(20-2)12(8-11)15(18)17-13-5-3-4-10(13)9-16/h6-8,10,13H,3-5,9H2,1-2H3,(H,17,18)
InChIKeyFXIXZCRKYHPXSA-UHFFFAOYSA-N
MW342.23 g/mol
LogP3.00
Rot. Bonds5

About N-[2-(bromomethyl)cyclopentyl]-2,5-dimethoxybenzamide

N-[2-(bromomethyl)cyclopentyl]-2,5-dimethoxybenzamide (PubChem CID 106366534) has the molecular formula C15H20BrNO3 and a molecular weight of 342.23 g/mol. Its IUPAC name is N-[2-(bromomethyl)cyclopentyl]-2,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-(bromomethyl)cyclopentyl]-2,5-dimethoxybenzamide
PubChem CID106366534
Molecular FormulaC15H20BrNO3
Molecular Weight342.23 g/mol
Exact Mass341.06
IUPAC NameN-[2-(bromomethyl)cyclopentyl]-2,5-dimethoxybenzamide
SMILESCOc1ccc(OC)c(C(=O)NC2CCCC2CBr)c1
InChIInChI=1S/C15H20BrNO3/c1-19-11-6-7-14(20-2)12(8-11)15(18)17-13-5-3-4-10(13)9-16/h6-8,10,13H,3-5,9H2,1-2H3,(H,17,18)
InChIKeyFXIXZCRKYHPXSA-UHFFFAOYSA-N
XLogP3.00
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.23
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(aminomethyl)cyclopentyl]-2,5-dimethoxybenzamide;hydrochloride
CID 119602527
N-[2-(aminomethyl)cyclohexyl]-2,5-dimethoxybenzamide;hydrochloride
CID 119610574
N-(2-chlorocyclopentyl)-2,5-dimethoxybenzamide
CID 106444066
4-bromo-N-[2-(bromomethyl)cyclohexyl]-2-methoxybenzamide
CID 106367431
N-[2-(bromomethyl)cyclopentyl]-3-methoxythiophene-2-carboxamide
CID 106366441
N-cyclohexyl-2,5-dimethoxybenzamide
CID 8573659
N-[2-(hydroxymethyl)cyclohexyl]-2-methoxy-5-methylbenzamide
CID 106364492
N-[2-(bromomethyl)cyclopentyl]-4-fluoro-3-methoxybenzamide
CID 106366287
N-[[2-(chloromethyl)cyclopentyl]methyl]-2,5-dimethoxybenzamide
CID 114306706
N-(2-aminocyclopentyl)-2-methoxy-5-methylbenzamide
CID 63251447
5-bromo-N-[2-(bromomethyl)cyclopentyl]-2-methylbenzamide
CID 106366608
N-(4-chlorocyclohexyl)-2,5-dimethoxybenzamide
CID 114296927

Frequently Asked Questions

What is the IUPAC name of N-[2-(bromomethyl)cyclopentyl]-2,5-dimethoxybenzamide?
The IUPAC name of N-[2-(bromomethyl)cyclopentyl]-2,5-dimethoxybenzamide (CID 106366534) is N-[2-(bromomethyl)cyclopentyl]-2,5-dimethoxybenzamide.
What is the SMILES notation for N-[2-(bromomethyl)cyclopentyl]-2,5-dimethoxybenzamide?
The canonical SMILES for N-[2-(bromomethyl)cyclopentyl]-2,5-dimethoxybenzamide is COc1ccc(OC)c(C(=O)NC2CCCC2CBr)c1.
What is the InChIKey of N-[2-(bromomethyl)cyclopentyl]-2,5-dimethoxybenzamide?
The InChIKey is FXIXZCRKYHPXSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO3/c1-19-11-6-7-14(20-2)12(8-11)15(18)17-13-5-3-4-10(13)9-16/h6-8,10,13H,3-5,9H2,1-2H3,(H,17,18).
What are the key properties of N-[2-(bromomethyl)cyclopentyl]-2,5-dimethoxybenzamide?
N-[2-(bromomethyl)cyclopentyl]-2,5-dimethoxybenzamide has a molecular weight of 342.23 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(bromomethyl)cyclopentyl]-2,5-dimethoxybenzamide is sourced from PubChem (CID 106366534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).