ethyl 2-(4-bromo-3-fluoroanilino)acetate

C10H11BrFNO2 — CID 65435733

IUPACethyl 2-(4-bromo-3-fluoroanilino)acetate
SMILESCCOC(=O)CNc1ccc(Br)c(F)c1
InChIInChI=1S/C10H11BrFNO2/c1-2-15-10(14)6-13-7-3-4-8(11)9(12)5-7/h3-5,13H,2,6H2,1H3
InChIKeyOUEVKDHFYGKXDU-UHFFFAOYSA-N
MW276.11 g/mol
LogP2.56
Rot. Bonds4

About ethyl 2-(4-bromo-3-fluoroanilino)acetate

ethyl 2-(4-bromo-3-fluoroanilino)acetate (PubChem CID 65435733) has the molecular formula C10H11BrFNO2 and a molecular weight of 276.11 g/mol. Its IUPAC name is ethyl 2-(4-bromo-3-fluoroanilino)acetate.

Molecular Properties

Compound Nameethyl 2-(4-bromo-3-fluoroanilino)acetate
PubChem CID65435733
Molecular FormulaC10H11BrFNO2
Molecular Weight276.11 g/mol
Exact Mass275.00
IUPAC Nameethyl 2-(4-bromo-3-fluoroanilino)acetate
SMILESCCOC(=O)CNc1ccc(Br)c(F)c1
InChIInChI=1S/C10H11BrFNO2/c1-2-15-10(14)6-13-7-3-4-8(11)9(12)5-7/h3-5,13H,2,6H2,1H3
InChIKeyOUEVKDHFYGKXDU-UHFFFAOYSA-N
XLogP2.56
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.11
LogP ≤ 52.56
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-3-fluoroanilino)acetate?
The IUPAC name of ethyl 2-(4-bromo-3-fluoroanilino)acetate (CID 65435733) is ethyl 2-(4-bromo-3-fluoroanilino)acetate.
What is the SMILES notation for ethyl 2-(4-bromo-3-fluoroanilino)acetate?
The canonical SMILES for ethyl 2-(4-bromo-3-fluoroanilino)acetate is CCOC(=O)CNc1ccc(Br)c(F)c1.
What is the InChIKey of ethyl 2-(4-bromo-3-fluoroanilino)acetate?
The InChIKey is OUEVKDHFYGKXDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrFNO2/c1-2-15-10(14)6-13-7-3-4-8(11)9(12)5-7/h3-5,13H,2,6H2,1H3.
What are the key properties of ethyl 2-(4-bromo-3-fluoroanilino)acetate?
ethyl 2-(4-bromo-3-fluoroanilino)acetate has a molecular weight of 276.11 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-bromo-3-fluoroanilino)acetate is sourced from PubChem (CID 65435733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).