ethyl 2-(5-bromo-4-fluoro-3,3-dimethyl-2-oxoindol-1-yl)acetate

C14H15BrFNO3 — CID 170324432

IUPACethyl 2-(5-bromo-4-fluoro-3,3-dimethyl-2-oxoindol-1-yl)acetate
SMILESCCOC(=O)CN1C(=O)C(C)(C)c2c1ccc(Br)c2F
InChIInChI=1S/C14H15BrFNO3/c1-4-20-10(18)7-17-9-6-5-8(15)12(16)11(9)14(2,3)13(17)19/h5-6H,4,7H2,1-3H3
InChIKeyUMOQBRNDXKFUSA-UHFFFAOYSA-N
MW344.18 g/mol
LogP2.78
Rot. Bonds3

About ethyl 2-(5-bromo-4-fluoro-3,3-dimethyl-2-oxoindol-1-yl)acetate

ethyl 2-(5-bromo-4-fluoro-3,3-dimethyl-2-oxoindol-1-yl)acetate (PubChem CID 170324432) has the molecular formula C14H15BrFNO3 and a molecular weight of 344.18 g/mol. Its IUPAC name is ethyl 2-(5-bromo-4-fluoro-3,3-dimethyl-2-oxoindol-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(5-bromo-4-fluoro-3,3-dimethyl-2-oxoindol-1-yl)acetate
PubChem CID170324432
Molecular FormulaC14H15BrFNO3
Molecular Weight344.18 g/mol
Exact Mass343.02
IUPAC Nameethyl 2-(5-bromo-4-fluoro-3,3-dimethyl-2-oxoindol-1-yl)acetate
SMILESCCOC(=O)CN1C(=O)C(C)(C)c2c1ccc(Br)c2F
InChIInChI=1S/C14H15BrFNO3/c1-4-20-10(18)7-17-9-6-5-8(15)12(16)11(9)14(2,3)13(17)19/h5-6H,4,7H2,1-3H3
InChIKeyUMOQBRNDXKFUSA-UHFFFAOYSA-N
XLogP2.78
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.18
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-bromo-4-fluoro-3,3-dimethyl-2-oxoindol-1-yl)acetate?
The IUPAC name of ethyl 2-(5-bromo-4-fluoro-3,3-dimethyl-2-oxoindol-1-yl)acetate (CID 170324432) is ethyl 2-(5-bromo-4-fluoro-3,3-dimethyl-2-oxoindol-1-yl)acetate.
What is the SMILES notation for ethyl 2-(5-bromo-4-fluoro-3,3-dimethyl-2-oxoindol-1-yl)acetate?
The canonical SMILES for ethyl 2-(5-bromo-4-fluoro-3,3-dimethyl-2-oxoindol-1-yl)acetate is CCOC(=O)CN1C(=O)C(C)(C)c2c1ccc(Br)c2F.
What is the InChIKey of ethyl 2-(5-bromo-4-fluoro-3,3-dimethyl-2-oxoindol-1-yl)acetate?
The InChIKey is UMOQBRNDXKFUSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrFNO3/c1-4-20-10(18)7-17-9-6-5-8(15)12(16)11(9)14(2,3)13(17)19/h5-6H,4,7H2,1-3H3.
What are the key properties of ethyl 2-(5-bromo-4-fluoro-3,3-dimethyl-2-oxoindol-1-yl)acetate?
ethyl 2-(5-bromo-4-fluoro-3,3-dimethyl-2-oxoindol-1-yl)acetate has a molecular weight of 344.18 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-bromo-4-fluoro-3,3-dimethyl-2-oxoindol-1-yl)acetate is sourced from PubChem (CID 170324432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).