cyclopentyl N-(2-bromo-6-chloro-4-fluorophenyl)carbamate

C12H12BrClFNO2 — CID 112738568

IUPACcyclopentyl N-(2-bromo-6-chloro-4-fluorophenyl)carbamate
SMILESO=C(Nc1c(Cl)cc(F)cc1Br)OC1CCCC1
InChIInChI=1S/C12H12BrClFNO2/c13-9-5-7(15)6-10(14)11(9)16-12(17)18-8-3-1-2-4-8/h5-6,8H,1-4H2,(H,16,17)
InChIKeyQLPXZLDROKTDBH-UHFFFAOYSA-N
MW336.59 g/mol
LogP4.73
Rot. Bonds2

About cyclopentyl N-(2-bromo-6-chloro-4-fluorophenyl)carbamate

cyclopentyl N-(2-bromo-6-chloro-4-fluorophenyl)carbamate (PubChem CID 112738568) has the molecular formula C12H12BrClFNO2 and a molecular weight of 336.59 g/mol. Its IUPAC name is cyclopentyl N-(2-bromo-6-chloro-4-fluorophenyl)carbamate.

Molecular Properties

Compound Namecyclopentyl N-(2-bromo-6-chloro-4-fluorophenyl)carbamate
PubChem CID112738568
Molecular FormulaC12H12BrClFNO2
Molecular Weight336.59 g/mol
Exact Mass334.97
IUPAC Namecyclopentyl N-(2-bromo-6-chloro-4-fluorophenyl)carbamate
SMILESO=C(Nc1c(Cl)cc(F)cc1Br)OC1CCCC1
InChIInChI=1S/C12H12BrClFNO2/c13-9-5-7(15)6-10(14)11(9)16-12(17)18-8-3-1-2-4-8/h5-6,8H,1-4H2,(H,16,17)
InChIKeyQLPXZLDROKTDBH-UHFFFAOYSA-N
XLogP4.73
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.59
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cyclopentyl N-(2-bromo-4,6-dimethylphenyl)carbamate
CID 112738566
N-(2-bromo-6-chloro-4-fluorophenyl)piperidine-4-carboxamide
CID 107611969
N-(2-bromo-6-chloro-4-fluorophenyl)azepane-1-carboxamide
CID 103578333
N-(2-bromo-6-chloro-4-fluorophenyl)azetidine-3-carboxamide
CID 107611945
3-[(2-bromo-6-chloro-4-fluorophenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 107609255
N-(2-bromo-6-chloro-4-fluorophenyl)prop-2-ynamide
CID 107612535
N-(2-bromo-6-chloro-4-fluorophenyl)-2,2-dimethylpropanamide
CID 107612461
cyclopentyl N-(4-chloro-2-fluorophenyl)carbamate
CID 112738809
cyclopentyl N-(3,4-dichlorophenyl)carbamate
CID 5110802
cyclopentyl N-(2,4-difluorophenyl)carbamate
CID 113218545
3-[(2-bromo-6-chloro-4-fluorophenyl)carbamoylamino]-3-cyclopropylpropanoic acid
CID 107614479
N-(2-bromo-6-chloro-4-fluorophenyl)-4-chloro-1-cyclopropylpyrrole-2-carboxamide
CID 107612539

Frequently Asked Questions

What is the IUPAC name of cyclopentyl N-(2-bromo-6-chloro-4-fluorophenyl)carbamate?
The IUPAC name of cyclopentyl N-(2-bromo-6-chloro-4-fluorophenyl)carbamate (CID 112738568) is cyclopentyl N-(2-bromo-6-chloro-4-fluorophenyl)carbamate.
What is the SMILES notation for cyclopentyl N-(2-bromo-6-chloro-4-fluorophenyl)carbamate?
The canonical SMILES for cyclopentyl N-(2-bromo-6-chloro-4-fluorophenyl)carbamate is O=C(Nc1c(Cl)cc(F)cc1Br)OC1CCCC1.
What is the InChIKey of cyclopentyl N-(2-bromo-6-chloro-4-fluorophenyl)carbamate?
The InChIKey is QLPXZLDROKTDBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrClFNO2/c13-9-5-7(15)6-10(14)11(9)16-12(17)18-8-3-1-2-4-8/h5-6,8H,1-4H2,(H,16,17).
What are the key properties of cyclopentyl N-(2-bromo-6-chloro-4-fluorophenyl)carbamate?
cyclopentyl N-(2-bromo-6-chloro-4-fluorophenyl)carbamate has a molecular weight of 336.59 g/mol, XLogP of 4.73, 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-6-chloro-4-fluorophenyl)carbamate is sourced from PubChem (CID 112738568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).