N-[[2-(bromomethyl)cyclopentyl]methyl]-3,5-dimethoxybenzamide

C16H22BrNO3 — CID 114317235

IUPACN-[[2-(bromomethyl)cyclopentyl]methyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)NCC2CCCC2CBr)c1
InChIInChI=1S/C16H22BrNO3/c1-20-14-6-13(7-15(8-14)21-2)16(19)18-10-12-5-3-4-11(12)9-17/h6-8,11-12H,3-5,9-10H2,1-2H3,(H,18,19)
InChIKeyLMUXJYJVRJDIOS-UHFFFAOYSA-N
MW356.26 g/mol
LogP3.24
Rot. Bonds6

About N-[[2-(bromomethyl)cyclopentyl]methyl]-3,5-dimethoxybenzamide

N-[[2-(bromomethyl)cyclopentyl]methyl]-3,5-dimethoxybenzamide (PubChem CID 114317235) has the molecular formula C16H22BrNO3 and a molecular weight of 356.26 g/mol. Its IUPAC name is N-[[2-(bromomethyl)cyclopentyl]methyl]-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[[2-(bromomethyl)cyclopentyl]methyl]-3,5-dimethoxybenzamide
PubChem CID114317235
Molecular FormulaC16H22BrNO3
Molecular Weight356.26 g/mol
Exact Mass355.08
IUPAC NameN-[[2-(bromomethyl)cyclopentyl]methyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)NCC2CCCC2CBr)c1
InChIInChI=1S/C16H22BrNO3/c1-20-14-6-13(7-15(8-14)21-2)16(19)18-10-12-5-3-4-11(12)9-17/h6-8,11-12H,3-5,9-10H2,1-2H3,(H,18,19)
InChIKeyLMUXJYJVRJDIOS-UHFFFAOYSA-N
XLogP3.24
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.26
LogP ≤ 53.24
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

methyl 2-[[(3,5-dimethoxybenzoyl)amino]methyl]cyclohexane-1-carboxylate
CID 108767495
N-[[2-(bromomethyl)cyclopentyl]methyl]-3-fluoro-4-methoxybenzamide
CID 114317199
3-amino-5-methoxy-N-[(2-methylcyclopentyl)methyl]benzamide
CID 107416341
N-[[2-(bromomethyl)cyclohexyl]methyl]-4-methoxythiophene-2-carboxamide
CID 114317317
N-[[2-(bromomethyl)cyclohexyl]methyl]-2-hydroxy-4-methoxybenzamide
CID 114317332
N-[[2-(bromomethyl)cyclohexyl]methyl]-3-hydroxy-4-methoxybenzamide
CID 114317315
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3,5-dimethoxybenzamide
CID 120946857
N-[[2-(bromomethyl)cyclohexyl]methyl]-2-(4-methoxyphenyl)acetamide
CID 114317378
N-[[2-(bromomethyl)cyclopentyl]methyl]pyrimidine-5-carboxamide
CID 102922809
N-[[2-(bromomethyl)cyclopentyl]methyl]-4-cyanobenzamide
CID 114317040
N-[[2-(bromomethyl)cyclopentyl]methyl]-3-chlorobenzamide
CID 113276266
4-bromo-N-[[2-(bromomethyl)cyclopentyl]methyl]-3-chlorobenzamide
CID 113276202

Frequently Asked Questions

What is the IUPAC name of N-[[2-(bromomethyl)cyclopentyl]methyl]-3,5-dimethoxybenzamide?
The IUPAC name of N-[[2-(bromomethyl)cyclopentyl]methyl]-3,5-dimethoxybenzamide (CID 114317235) is N-[[2-(bromomethyl)cyclopentyl]methyl]-3,5-dimethoxybenzamide.
What is the SMILES notation for N-[[2-(bromomethyl)cyclopentyl]methyl]-3,5-dimethoxybenzamide?
The canonical SMILES for N-[[2-(bromomethyl)cyclopentyl]methyl]-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)NCC2CCCC2CBr)c1.
What is the InChIKey of N-[[2-(bromomethyl)cyclopentyl]methyl]-3,5-dimethoxybenzamide?
The InChIKey is LMUXJYJVRJDIOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrNO3/c1-20-14-6-13(7-15(8-14)21-2)16(19)18-10-12-5-3-4-11(12)9-17/h6-8,11-12H,3-5,9-10H2,1-2H3,(H,18,19).
What are the key properties of N-[[2-(bromomethyl)cyclopentyl]methyl]-3,5-dimethoxybenzamide?
N-[[2-(bromomethyl)cyclopentyl]methyl]-3,5-dimethoxybenzamide has a molecular weight of 356.26 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(bromomethyl)cyclopentyl]methyl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 114317235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).