methyl N-(2-bromo-5-fluorophenyl)-N-cyclohexylcarbamate

C14H17BrFNO2 — CID 135079076

IUPACmethyl N-(2-bromo-5-fluorophenyl)-N-cyclohexylcarbamate
SMILESCOC(=O)N(c1cc(F)ccc1Br)C1CCCCC1
InChIInChI=1S/C14H17BrFNO2/c1-19-14(18)17(11-5-3-2-4-6-11)13-9-10(16)7-8-12(13)15/h7-9,11H,2-6H2,1H3
InChIKeyYOHAUTQABHAEKD-UHFFFAOYSA-N
MW330.20 g/mol
LogP4.49
Rot. Bonds2

About methyl N-(2-bromo-5-fluorophenyl)-N-cyclohexylcarbamate

methyl N-(2-bromo-5-fluorophenyl)-N-cyclohexylcarbamate (PubChem CID 135079076) has the molecular formula C14H17BrFNO2 and a molecular weight of 330.20 g/mol. Its IUPAC name is methyl N-(2-bromo-5-fluorophenyl)-N-cyclohexylcarbamate.

Molecular Properties

Compound Namemethyl N-(2-bromo-5-fluorophenyl)-N-cyclohexylcarbamate
PubChem CID135079076
Molecular FormulaC14H17BrFNO2
Molecular Weight330.20 g/mol
Exact Mass329.04
IUPAC Namemethyl N-(2-bromo-5-fluorophenyl)-N-cyclohexylcarbamate
SMILESCOC(=O)N(c1cc(F)ccc1Br)C1CCCCC1
InChIInChI=1S/C14H17BrFNO2/c1-19-14(18)17(11-5-3-2-4-6-11)13-9-10(16)7-8-12(13)15/h7-9,11H,2-6H2,1H3
InChIKeyYOHAUTQABHAEKD-UHFFFAOYSA-N
XLogP4.49
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.20
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl N-(2-bromo-5-fluorophenyl)-N-cyclohexylcarbamate?
The IUPAC name of methyl N-(2-bromo-5-fluorophenyl)-N-cyclohexylcarbamate (CID 135079076) is methyl N-(2-bromo-5-fluorophenyl)-N-cyclohexylcarbamate.
What is the SMILES notation for methyl N-(2-bromo-5-fluorophenyl)-N-cyclohexylcarbamate?
The canonical SMILES for methyl N-(2-bromo-5-fluorophenyl)-N-cyclohexylcarbamate is COC(=O)N(c1cc(F)ccc1Br)C1CCCCC1.
What is the InChIKey of methyl N-(2-bromo-5-fluorophenyl)-N-cyclohexylcarbamate?
The InChIKey is YOHAUTQABHAEKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrFNO2/c1-19-14(18)17(11-5-3-2-4-6-11)13-9-10(16)7-8-12(13)15/h7-9,11H,2-6H2,1H3.
What are the key properties of methyl N-(2-bromo-5-fluorophenyl)-N-cyclohexylcarbamate?
methyl N-(2-bromo-5-fluorophenyl)-N-cyclohexylcarbamate has a molecular weight of 330.20 g/mol, XLogP of 4.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(2-bromo-5-fluorophenyl)-N-cyclohexylcarbamate is sourced from PubChem (CID 135079076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).