ethyl 2-[(4-bromo-2-fluorophenyl)methylamino]acetate

C11H13BrFNO2 — CID 60811078

IUPACethyl 2-[(4-bromo-2-fluorophenyl)methylamino]acetate
SMILESCCOC(=O)CNCc1ccc(Br)cc1F
InChIInChI=1S/C11H13BrFNO2/c1-2-16-11(15)7-14-6-8-3-4-9(12)5-10(8)13/h3-5,14H,2,6-7H2,1H3
InChIKeyDAZHRASQDMWSDD-UHFFFAOYSA-N
MW290.13 g/mol
LogP2.24
Rot. Bonds5

About ethyl 2-[(4-bromo-2-fluorophenyl)methylamino]acetate

ethyl 2-[(4-bromo-2-fluorophenyl)methylamino]acetate (PubChem CID 60811078) has the molecular formula C11H13BrFNO2 and a molecular weight of 290.13 g/mol. Its IUPAC name is ethyl 2-[(4-bromo-2-fluorophenyl)methylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(4-bromo-2-fluorophenyl)methylamino]acetate
PubChem CID60811078
Molecular FormulaC11H13BrFNO2
Molecular Weight290.13 g/mol
Exact Mass289.01
IUPAC Nameethyl 2-[(4-bromo-2-fluorophenyl)methylamino]acetate
SMILESCCOC(=O)CNCc1ccc(Br)cc1F
InChIInChI=1S/C11H13BrFNO2/c1-2-16-11(15)7-14-6-8-3-4-9(12)5-10(8)13/h3-5,14H,2,6-7H2,1H3
InChIKeyDAZHRASQDMWSDD-UHFFFAOYSA-N
XLogP2.24
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.13
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-bromo-2-fluorophenyl)methylamino]acetate?
The IUPAC name of ethyl 2-[(4-bromo-2-fluorophenyl)methylamino]acetate (CID 60811078) is ethyl 2-[(4-bromo-2-fluorophenyl)methylamino]acetate.
What is the SMILES notation for ethyl 2-[(4-bromo-2-fluorophenyl)methylamino]acetate?
The canonical SMILES for ethyl 2-[(4-bromo-2-fluorophenyl)methylamino]acetate is CCOC(=O)CNCc1ccc(Br)cc1F.
What is the InChIKey of ethyl 2-[(4-bromo-2-fluorophenyl)methylamino]acetate?
The InChIKey is DAZHRASQDMWSDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrFNO2/c1-2-16-11(15)7-14-6-8-3-4-9(12)5-10(8)13/h3-5,14H,2,6-7H2,1H3.
What are the key properties of ethyl 2-[(4-bromo-2-fluorophenyl)methylamino]acetate?
ethyl 2-[(4-bromo-2-fluorophenyl)methylamino]acetate has a molecular weight of 290.13 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-bromo-2-fluorophenyl)methylamino]acetate is sourced from PubChem (CID 60811078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).