cyclopentyl N-(2-bromo-4,6-dimethylphenyl)carbamate

C14H18BrNO2 — CID 112738566

IUPACcyclopentyl N-(2-bromo-4,6-dimethylphenyl)carbamate
SMILESCc1cc(C)c(NC(=O)OC2CCCC2)c(Br)c1
InChIInChI=1S/C14H18BrNO2/c1-9-7-10(2)13(12(15)8-9)16-14(17)18-11-5-3-4-6-11/h7-8,11H,3-6H2,1-2H3,(H,16,17)
InChIKeyTVPQDYHDCJIDIY-UHFFFAOYSA-N
MW312.21 g/mol
LogP4.56
Rot. Bonds2

About cyclopentyl N-(2-bromo-4,6-dimethylphenyl)carbamate

cyclopentyl N-(2-bromo-4,6-dimethylphenyl)carbamate (PubChem CID 112738566) has the molecular formula C14H18BrNO2 and a molecular weight of 312.21 g/mol. Its IUPAC name is cyclopentyl N-(2-bromo-4,6-dimethylphenyl)carbamate.

Molecular Properties

Compound Namecyclopentyl N-(2-bromo-4,6-dimethylphenyl)carbamate
PubChem CID112738566
Molecular FormulaC14H18BrNO2
Molecular Weight312.21 g/mol
Exact Mass311.05
IUPAC Namecyclopentyl N-(2-bromo-4,6-dimethylphenyl)carbamate
SMILESCc1cc(C)c(NC(=O)OC2CCCC2)c(Br)c1
InChIInChI=1S/C14H18BrNO2/c1-9-7-10(2)13(12(15)8-9)16-14(17)18-11-5-3-4-6-11/h7-8,11H,3-6H2,1-2H3,(H,16,17)
InChIKeyTVPQDYHDCJIDIY-UHFFFAOYSA-N
XLogP4.56
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.21
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cyclopentyl N-(2-bromo-6-chloro-4-fluorophenyl)carbamate
CID 112738568
cyclohexyl N-(2,5-dimethylphenyl)carbamate
CID 3262624
cyclopentyl N-(2-hydroxy-4-methylphenyl)carbamate
CID 112738572
methyl N-(2,6-dibromo-4-methylphenyl)carbamate
CID 116654064
ethyl N-(2,6-dibromo-4-methylphenyl)carbamate
CID 60651437
N-(2-bromo-4,6-dimethylphenyl)-2-methylpiperidine-2-carboxamide
CID 104597094
cyclohexyl N-(5-chloro-2-methylphenyl)carbamate
CID 4569721
[2-(piperidin-1-ylmethyl)cyclohexyl] N-(2,4,6-trimethylphenyl)carbamate
CID 14664243
[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl] N-(2,4,6-trimethylphenyl)carbamate
CID 3076226
tert-butyl N-(2,6-dibromo-4-methylphenyl)carbamate
CID 65143138
cyclopentyl N-(4-methyl-2-nitrophenyl)carbamate
CID 4548221
N-(2-bromo-4,6-dimethylphenyl)-4-fluoro-2-methylbenzamide
CID 115745964

Frequently Asked Questions

What is the IUPAC name of cyclopentyl N-(2-bromo-4,6-dimethylphenyl)carbamate?
The IUPAC name of cyclopentyl N-(2-bromo-4,6-dimethylphenyl)carbamate (CID 112738566) is cyclopentyl N-(2-bromo-4,6-dimethylphenyl)carbamate.
What is the SMILES notation for cyclopentyl N-(2-bromo-4,6-dimethylphenyl)carbamate?
The canonical SMILES for cyclopentyl N-(2-bromo-4,6-dimethylphenyl)carbamate is Cc1cc(C)c(NC(=O)OC2CCCC2)c(Br)c1.
What is the InChIKey of cyclopentyl N-(2-bromo-4,6-dimethylphenyl)carbamate?
The InChIKey is TVPQDYHDCJIDIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO2/c1-9-7-10(2)13(12(15)8-9)16-14(17)18-11-5-3-4-6-11/h7-8,11H,3-6H2,1-2H3,(H,16,17).
What are the key properties of cyclopentyl N-(2-bromo-4,6-dimethylphenyl)carbamate?
cyclopentyl N-(2-bromo-4,6-dimethylphenyl)carbamate has a molecular weight of 312.21 g/mol, XLogP of 4.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl N-(2-bromo-4,6-dimethylphenyl)carbamate is sourced from PubChem (CID 112738566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).