N-(2-bromocyclopentyl)-2,5-dimethylbenzamide

C14H18BrNO — CID 80662221

IUPACN-(2-bromocyclopentyl)-2,5-dimethylbenzamide
SMILESCc1ccc(C)c(C(=O)NC2CCCC2Br)c1
InChIInChI=1S/C14H18BrNO/c1-9-6-7-10(2)11(8-9)14(17)16-13-5-3-4-12(13)15/h6-8,12-13H,3-5H2,1-2H3,(H,16,17)
InChIKeyMMVYJZHHUXKVNN-UHFFFAOYSA-N
MW296.21 g/mol
LogP3.35
Rot. Bonds2

About N-(2-bromocyclopentyl)-2,5-dimethylbenzamide

N-(2-bromocyclopentyl)-2,5-dimethylbenzamide (PubChem CID 80662221) has the molecular formula C14H18BrNO and a molecular weight of 296.21 g/mol. Its IUPAC name is N-(2-bromocyclopentyl)-2,5-dimethylbenzamide.

Molecular Properties

Compound NameN-(2-bromocyclopentyl)-2,5-dimethylbenzamide
PubChem CID80662221
Molecular FormulaC14H18BrNO
Molecular Weight296.21 g/mol
Exact Mass295.06
IUPAC NameN-(2-bromocyclopentyl)-2,5-dimethylbenzamide
SMILESCc1ccc(C)c(C(=O)NC2CCCC2Br)c1
InChIInChI=1S/C14H18BrNO/c1-9-6-7-10(2)11(8-9)14(17)16-13-5-3-4-12(13)15/h6-8,12-13H,3-5H2,1-2H3,(H,16,17)
InChIKeyMMVYJZHHUXKVNN-UHFFFAOYSA-N
XLogP3.35
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.21
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-(2-bromocycloheptyl)-2-methylbenzamide
CID 113395138
N-(2-carbamothioylcyclopentyl)-2,5-dimethylbenzamide
CID 62955535
N-cyclohexyl-2,5-dimethylbenzamide
CID 925443
N-(2,6-dimethylcyclohexyl)-2,5-dimethylbenzamide
CID 112817281
4-bromo-N-(2-bromocyclohexyl)-2-methylbenzamide
CID 113275078
4-bromo-N-(2-bromocycloheptyl)-2-methylbenzamide
CID 113395123
N-(2-bromocyclohexyl)-2-hydroxy-3-methylbenzamide
CID 114312067
3-bromo-N-(2-bromocycloheptyl)-4-methylbenzamide
CID 113395139
2,5-dimethyl-N-(4-methylpiperidin-3-yl)benzamide
CID 63325964
N-(1-azabicyclo[2.2.2]octan-3-yl)-2,5-dimethylbenzamide
CID 91948829
N-(2-bromocyclohexyl)-3-fluoro-4-methylbenzamide
CID 113275063
2-bromo-N-(2-bromocyclopentyl)benzamide
CID 80662128

Frequently Asked Questions

What is the IUPAC name of N-(2-bromocyclopentyl)-2,5-dimethylbenzamide?
The IUPAC name of N-(2-bromocyclopentyl)-2,5-dimethylbenzamide (CID 80662221) is N-(2-bromocyclopentyl)-2,5-dimethylbenzamide.
What is the SMILES notation for N-(2-bromocyclopentyl)-2,5-dimethylbenzamide?
The canonical SMILES for N-(2-bromocyclopentyl)-2,5-dimethylbenzamide is Cc1ccc(C)c(C(=O)NC2CCCC2Br)c1.
What is the InChIKey of N-(2-bromocyclopentyl)-2,5-dimethylbenzamide?
The InChIKey is MMVYJZHHUXKVNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO/c1-9-6-7-10(2)11(8-9)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)-2,5-dimethylbenzamide?
N-(2-bromocyclopentyl)-2,5-dimethylbenzamide has a molecular weight of 296.21 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromocyclopentyl)-2,5-dimethylbenzamide is sourced from PubChem (CID 80662221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).