N-(2-bromocyclopentyl)-3,5-dimethoxybenzamide

C14H18BrNO3 — CID 80661734

IUPACN-(2-bromocyclopentyl)-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)NC2CCCC2Br)c1
InChIInChI=1S/C14H18BrNO3/c1-18-10-6-9(7-11(8-10)19-2)14(17)16-13-5-3-4-12(13)15/h6-8,12-13H,3-5H2,1-2H3,(H,16,17)
InChIKeyBMMUKGXVQXFZIY-UHFFFAOYSA-N
MW328.21 g/mol
LogP2.75
Rot. Bonds4

About N-(2-bromocyclopentyl)-3,5-dimethoxybenzamide

N-(2-bromocyclopentyl)-3,5-dimethoxybenzamide (PubChem CID 80661734) has the molecular formula C14H18BrNO3 and a molecular weight of 328.21 g/mol. Its IUPAC name is N-(2-bromocyclopentyl)-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-(2-bromocyclopentyl)-3,5-dimethoxybenzamide
PubChem CID80661734
Molecular FormulaC14H18BrNO3
Molecular Weight328.21 g/mol
Exact Mass327.05
IUPAC NameN-(2-bromocyclopentyl)-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)NC2CCCC2Br)c1
InChIInChI=1S/C14H18BrNO3/c1-18-10-6-9(7-11(8-10)19-2)14(17)16-13-5-3-4-12(13)15/h6-8,12-13H,3-5H2,1-2H3,(H,16,17)
InChIKeyBMMUKGXVQXFZIY-UHFFFAOYSA-N
XLogP2.75
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-bromocyclopentyl)-3,5-dimethoxybenzamide 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-bromocyclopentyl)-3-methoxybenzamide
CID 80662437
N-cyclopentyl-3,5-dimethoxybenzamide
CID 2303723
N-(2-bromocyclopentyl)-2-fluoro-4-methoxybenzamide
CID 102883574
N-(2-bromocyclohexyl)-2-hydroxy-5-methoxybenzamide
CID 114312002
N-(2-bromocycloheptyl)-3,5-dihydroxybenzamide
CID 107706124
N-[(1R,2R)-2-bromocyclopentyl]benzamide
CID 135010678
6-bromo-N-(2-bromocyclopentyl)naphthalene-2-carboxamide
CID 115354131
N-(2-bromocyclopentyl)-3-methoxythiophene-2-carboxamide
CID 81122470
N-(2-bromocyclopentyl)-3-methoxy-4-nitrobenzamide
CID 104783556
N-[(1S,2S)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-3,5-dimethoxybenzamide
CID 35569327
N-[2-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl]-3,5-dimethoxybenzamide
CID 40882905
N-(2-bromocyclopentyl)-3-methoxypyridine-4-carboxamide
CID 105063711

Frequently Asked Questions

What is the IUPAC name of N-(2-bromocyclopentyl)-3,5-dimethoxybenzamide?
The IUPAC name of N-(2-bromocyclopentyl)-3,5-dimethoxybenzamide (CID 80661734) is N-(2-bromocyclopentyl)-3,5-dimethoxybenzamide.
What is the SMILES notation for N-(2-bromocyclopentyl)-3,5-dimethoxybenzamide?
The canonical SMILES for N-(2-bromocyclopentyl)-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)NC2CCCC2Br)c1.
What is the InChIKey of N-(2-bromocyclopentyl)-3,5-dimethoxybenzamide?
The InChIKey is BMMUKGXVQXFZIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO3/c1-18-10-6-9(7-11(8-10)19-2)14(17)16-13-5-3-4-12(13)15/h6-8,12-13H,3-5H2,1-2H3,(H,16,17).
What are the key properties of N-(2-bromocyclopentyl)-3,5-dimethoxybenzamide?
N-(2-bromocyclopentyl)-3,5-dimethoxybenzamide has a molecular weight of 328.21 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromocyclopentyl)-3,5-dimethoxybenzamide is sourced from PubChem (CID 80661734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).