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

C8H6BrClFNO2 — CID 107610842

IUPACmethyl N-(2-bromo-6-chloro-4-fluorophenyl)carbamate
SMILESCOC(=O)Nc1c(Cl)cc(F)cc1Br
InChIInChI=1S/C8H6BrClFNO2/c1-14-8(13)12-7-5(9)2-4(11)3-6(7)10/h2-3H,1H3,(H,12,13)
InChIKeyADMQQKBABXDMJN-UHFFFAOYSA-N
MW282.50 g/mol
LogP3.42
Rot. Bonds1

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

methyl N-(2-bromo-6-chloro-4-fluorophenyl)carbamate (PubChem CID 107610842) has the molecular formula C8H6BrClFNO2 and a molecular weight of 282.50 g/mol. Its IUPAC name is methyl N-(2-bromo-6-chloro-4-fluorophenyl)carbamate.

Molecular Properties

Compound Namemethyl N-(2-bromo-6-chloro-4-fluorophenyl)carbamate
PubChem CID107610842
Molecular FormulaC8H6BrClFNO2
Molecular Weight282.50 g/mol
Exact Mass280.93
IUPAC Namemethyl N-(2-bromo-6-chloro-4-fluorophenyl)carbamate
SMILESCOC(=O)Nc1c(Cl)cc(F)cc1Br
InChIInChI=1S/C8H6BrClFNO2/c1-14-8(13)12-7-5(9)2-4(11)3-6(7)10/h2-3H,1H3,(H,12,13)
InChIKeyADMQQKBABXDMJN-UHFFFAOYSA-N
XLogP3.42
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.50
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl N-(2-bromo-6-chloro-4-fluorophenyl)carbamate?
The IUPAC name of methyl N-(2-bromo-6-chloro-4-fluorophenyl)carbamate (CID 107610842) is methyl N-(2-bromo-6-chloro-4-fluorophenyl)carbamate.
What is the SMILES notation for methyl N-(2-bromo-6-chloro-4-fluorophenyl)carbamate?
The canonical SMILES for methyl N-(2-bromo-6-chloro-4-fluorophenyl)carbamate is COC(=O)Nc1c(Cl)cc(F)cc1Br.
What is the InChIKey of methyl N-(2-bromo-6-chloro-4-fluorophenyl)carbamate?
The InChIKey is ADMQQKBABXDMJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrClFNO2/c1-14-8(13)12-7-5(9)2-4(11)3-6(7)10/h2-3H,1H3,(H,12,13).
What are the key properties of methyl N-(2-bromo-6-chloro-4-fluorophenyl)carbamate?
methyl N-(2-bromo-6-chloro-4-fluorophenyl)carbamate has a molecular weight of 282.50 g/mol, XLogP of 3.42, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(2-bromo-6-chloro-4-fluorophenyl)carbamate is sourced from PubChem (CID 107610842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).