ethyl N-[2-(5-bromo-2-fluorophenyl)ethyl]carbamate

C11H13BrFNO2 — CID 110792453

IUPACethyl N-[2-(5-bromo-2-fluorophenyl)ethyl]carbamate
SMILESCCOC(=O)NCCc1cc(Br)ccc1F
InChIInChI=1S/C11H13BrFNO2/c1-2-16-11(15)14-6-5-8-7-9(12)3-4-10(8)13/h3-4,7H,2,5-6H2,1H3,(H,14,15)
InChIKeyQZICHQVANHRQKZ-UHFFFAOYSA-N
MW290.13 g/mol
LogP2.88
Rot. Bonds4

About ethyl N-[2-(5-bromo-2-fluorophenyl)ethyl]carbamate

ethyl N-[2-(5-bromo-2-fluorophenyl)ethyl]carbamate (PubChem CID 110792453) has the molecular formula C11H13BrFNO2 and a molecular weight of 290.13 g/mol. Its IUPAC name is ethyl N-[2-(5-bromo-2-fluorophenyl)ethyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-(5-bromo-2-fluorophenyl)ethyl]carbamate
PubChem CID110792453
Molecular FormulaC11H13BrFNO2
Molecular Weight290.13 g/mol
Exact Mass289.01
IUPAC Nameethyl N-[2-(5-bromo-2-fluorophenyl)ethyl]carbamate
SMILESCCOC(=O)NCCc1cc(Br)ccc1F
InChIInChI=1S/C11H13BrFNO2/c1-2-16-11(15)14-6-5-8-7-9(12)3-4-10(8)13/h3-4,7H,2,5-6H2,1H3,(H,14,15)
InChIKeyQZICHQVANHRQKZ-UHFFFAOYSA-N
XLogP2.88
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.13
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-(5-bromo-2-fluorophenyl)ethyl]carbamate?
The IUPAC name of ethyl N-[2-(5-bromo-2-fluorophenyl)ethyl]carbamate (CID 110792453) is ethyl N-[2-(5-bromo-2-fluorophenyl)ethyl]carbamate.
What is the SMILES notation for ethyl N-[2-(5-bromo-2-fluorophenyl)ethyl]carbamate?
The canonical SMILES for ethyl N-[2-(5-bromo-2-fluorophenyl)ethyl]carbamate is CCOC(=O)NCCc1cc(Br)ccc1F.
What is the InChIKey of ethyl N-[2-(5-bromo-2-fluorophenyl)ethyl]carbamate?
The InChIKey is QZICHQVANHRQKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrFNO2/c1-2-16-11(15)14-6-5-8-7-9(12)3-4-10(8)13/h3-4,7H,2,5-6H2,1H3,(H,14,15).
What are the key properties of ethyl N-[2-(5-bromo-2-fluorophenyl)ethyl]carbamate?
ethyl N-[2-(5-bromo-2-fluorophenyl)ethyl]carbamate has a molecular weight of 290.13 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-(5-bromo-2-fluorophenyl)ethyl]carbamate is sourced from PubChem (CID 110792453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).