2-(2-bromophenoxy)ethyl N-phenylcarbamate

C15H14BrNO3 — CID 2244776

IUPAC2-(2-bromophenoxy)ethyl N-phenylcarbamate
SMILESO=C(Nc1ccccc1)OCCOc1ccccc1Br
InChIInChI=1S/C15H14BrNO3/c16-13-8-4-5-9-14(13)19-10-11-20-15(18)17-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,17,18)
InChIKeyFGSMMMUZEPXRHN-UHFFFAOYSA-N
MW336.19 g/mol
LogP4.08
Rot. Bonds5

About 2-(2-bromophenoxy)ethyl N-phenylcarbamate

2-(2-bromophenoxy)ethyl N-phenylcarbamate (PubChem CID 2244776) has the molecular formula C15H14BrNO3 and a molecular weight of 336.19 g/mol. Its IUPAC name is 2-(2-bromophenoxy)ethyl N-phenylcarbamate.

Molecular Properties

Compound Name2-(2-bromophenoxy)ethyl N-phenylcarbamate
PubChem CID2244776
Molecular FormulaC15H14BrNO3
Molecular Weight336.19 g/mol
Exact Mass335.02
IUPAC Name2-(2-bromophenoxy)ethyl N-phenylcarbamate
SMILESO=C(Nc1ccccc1)OCCOc1ccccc1Br
InChIInChI=1S/C15H14BrNO3/c16-13-8-4-5-9-14(13)19-10-11-20-15(18)17-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,17,18)
InChIKeyFGSMMMUZEPXRHN-UHFFFAOYSA-N
XLogP4.08
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.19
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenoxy)ethyl N-phenylcarbamate?
The IUPAC name of 2-(2-bromophenoxy)ethyl N-phenylcarbamate (CID 2244776) is 2-(2-bromophenoxy)ethyl N-phenylcarbamate.
What is the SMILES notation for 2-(2-bromophenoxy)ethyl N-phenylcarbamate?
The canonical SMILES for 2-(2-bromophenoxy)ethyl N-phenylcarbamate is O=C(Nc1ccccc1)OCCOc1ccccc1Br.
What is the InChIKey of 2-(2-bromophenoxy)ethyl N-phenylcarbamate?
The InChIKey is FGSMMMUZEPXRHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO3/c16-13-8-4-5-9-14(13)19-10-11-20-15(18)17-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,17,18).
What are the key properties of 2-(2-bromophenoxy)ethyl N-phenylcarbamate?
2-(2-bromophenoxy)ethyl N-phenylcarbamate has a molecular weight of 336.19 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenoxy)ethyl N-phenylcarbamate is sourced from PubChem (CID 2244776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).